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3 substances in Reaxys
2017-08-01 03h:05m:03s (EST)
O N
1. Query
N
O N O
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Reaxys ID 759813 View in Reaxys
O
1/3 CAS Registry Number: 2011-67-8 Chemical Name: nimetazepam; 1,3-dihydro-1-methyl-7-nitro-5phenyl-2H-1,4-benzodiazepin-2-one; Elimin; 2-methyl-9-nitro-6phenyl-2,5-diazabicyclo[5.4.0]undeca-5,8,10,12-tetraen-3-one; 1-methyl-7-nitro-5-phenyl-1H-benzo[e][1,4]diazepin-2(3H)-one; N-1-Methylnitrazepam; nitrazepam Linear Structure Formula: (C6H3NO2)N(CH3)COCH2NC(C6H5) Molecular Formula: C16H13N3O3 Molecular Weight: 295.298 Type of Substance: heterocyclic InChI Key: GWUSZQUVEVMBPI-UHFFFAOYSA-N Note:
N
N
N
O
O
Substance Label (23) Label References IV
Patent; BUCK INSTITUTE FOR AGE RESEARCH; JOHN, Varghese; BREDESEN, Dale E.; WO2012/24616; (2012); (A1) English, View in Reaxys
1b
Broxton; Sango; Wright; Canadian Journal of Chemistry; vol. 66; nb. 7; (1988); p. 1566 - 1570, View in Reaxys
1c
Broxton, Trevor J.; Wright, Sallyanne; Journal of Organic Chemistry; vol. 51; nb. 15; (1986); p. 2965 2969, View in Reaxys; Broxton; Morrison; Australian Journal of Chemistry; vol. 38; nb. 7; (1985); p. 1037 1043, View in Reaxys
7
Patent; Sumitomo; DE2017060; (1970); Chem.Abstr.; vol. 74; nb. 22904; (1971), View in Reaxys; Paul, H.H.; Sapper, H.; Lohmann, W.; Kalinowski, H. O.; Organic Magnetic Resonance; vol. 21; nb. 5; (1983); p. 319 - 321, View in Reaxys
XIII
Krichevskii, E. S.; Romanova, O. B.; Grinev, A. N.; Chemistry of Heterocyclic Compounds (New York, NY, United States); vol. 19; nb. 12; (1983); p. 1302 - 1305; Khimiya Geterotsiklicheskikh Soedinenii; vol. 19; nb. 12; (1983); p. 1648 - 1651, View in Reaxys
47
Seiler; Zimmermann; Arzneimittel-Forschung/Drug Research; vol. 33; nb. 11; (1983); p. 1519 - 1522, View in Reaxys
9
Kovar; Linden; Breitmaier; Archiv der Pharmazie; vol. 314; nb. 2; (1981); p. 186 - 190, View in Reaxys
2
Sarrazin, Marcel; Faure, Robert; Aubert, Claude; Vincent, Emile-Jean; Journal de Chimie Physique et de Physico-Chimie Biologique; vol. 77; nb. 1; (1980); p. 91 - 94, View in Reaxys
1d
Sugasawa et al.; Journal of Heterocyclic Chemistry; vol. 16; (1979); p. 445,448, View in Reaxys
Bsp. 5
Patent; Sumitomo Chemical Company; CH599175; (1978); DE2508332; Chem.Abstr.; vol. 83; nb. 206341, View in Reaxys
XVII, R1=Me; R2=NO2; R3=R5=H
de Silva et al.; Analytical Chemistry; vol. 48; (1976); p. 10,11, View in Reaxys
3
Sarrazin et al.; Organic Magnetic Resonance; vol. 7; (1975); p. 89,92, View in Reaxys; Patent; Fabr. Med. Terap.; DE2227977; (1973); Chem.Abstr.; vol. 78; nb. 111388; (1973), View in Reaxys
XVII
Inaba et al.; Chemical and Pharmaceutical Bulletin; vol. 19; (1971); p. 722,723,726, View in Reaxys
Beispiel 27 bis 31
Patent; Sumitomo Chem. Comp.; DE1811830; (1971); Chem.Abstr.; vol. 75; nb. 129844; (1971), View in Reaxys
Beisp.4
Patent; Sankyo Co. Ltd.; DE2164154; (1971); Chem.Abstr.; vol. 77; nb. 126704, View in Reaxys
-1,4-benzodiazepin-2-on
Patent; Hoffmann-LaRoche; US3546212; (1970); Chem.Abstr.; vol. 74; nb. 112062, View in Reaxys
XI
Sadée; Archiv der Pharmazie und Berichte der Deutschen Pharmazeutischen Gesellschaft; vol. 302; nb. 10; (1969); p. 769 - 774, View in Reaxys
Beisp.27
Patent; Sumitomo Chem. Comp.; US3770767; (1968); DE1811830; Chem.Abstr.; vol. 75; nb. 129844, View in Reaxys
V
Patent; Hoffmann; US3121114; (1964); Chem.Abstr.; vol. 61; nb. 13332b; (1964), View in Reaxys
IX
Senkowski et al.; Analytical Chemistry; vol. 36; (1964); p. 1991,1992, View in Reaxys
VIIIf
Sternbach,L.H. et al.; Journal of Medicinal Chemistry; vol. 6; (1963); p. 261 - 265, View in Reaxys
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Bsp. 38
Patent; Reeder; Sternbach; US3141890; (1962); Chem.Abstr.; vol. 61; nb. 9514e; (1964), View in Reaxys
V (Z=O, R=Me, X=NO2, X'=H)
Patent; Hoffmann-La Roche Inc.; US3109843; (1962); Chem.Abstr.; vol. 60; nb. 2994a; (1964), View in Reaxys
Patent-Specific Data (2) Location in Patent References Patent; UNIVERSITA' DEGLI STUDI DI FIRENZE; A.I.L. FIRENZE SEZIONE AUTONOMA DI FIRENZE DELL'ASSOCIAZIONE ITALIANA CONTRO LE LEUCEMIE, LINFOMI E MIELOMA - ONLUS; WO2009/81349; (2009); (A1) English, View in Reaxys Claim
Patent; SRCHEM Incorporated; US5288503; (1994); (A1) English, View in Reaxys; Patent; ALTERGON S.A.; EP1273301; (2003); (A2) English, View in Reaxys; Patent; Seth; Pyare; Seth; Pawan; US4721709; (1988); (A1) English, View in Reaxys; Patent; Nippon Shinyaju Co., Ltd.; US5811547; (1998); (A1) English, View in Reaxys; Patent; Sumitomo Chemical Company, Limited; US4044003; (1977); (A1) English, View in Reaxys; Patent; The Procter and Gamble Company; US4557934; (1985); (A1) English, View in Reaxys; Patent; The Arab Company For Drug Industries And Medical Applicances (ACDIMA); US5646131; (1997); (A1) English, View in Reaxys
Druglikeness (1) 1 of 1
LogP
2.188
H Bond Donors
0
H Bond Acceptors
3
Rotatable Bonds
2
TPSA
78.49
Lipinski Number
4
Veber Number
2
Highest Clinical Phase (1) Highest Clinical Phase Marketed Derivative (7) Comment (Derivative)
References
Hydrobromid:F=260-265gr ad
Patent; Sumitomo Kagaku Koge; JP4356500; (1977); Ref. Zh., Khim.; vol. 5; nb. O180P; (1979), View in Reaxys
Hydrochlorid. F: 227-234grad (S. 47)
Patent; Sumitomo Chem. Comp.; DE1811830; (1971); Chem.Abstr.; vol. 75; nb. 129844; (1971), View in Reaxys
Hydrochlorid: F: 243-247grad (Zers.)
Inaba et al.; Chemical and Pharmaceutical Bulletin; vol. 19; (1971); p. 722,723,726, View in Reaxys
HCl*Cr*Salz: F: 186-189grad (Zers.), orange; IR
Inaba et al.; Chemical and Pharmaceutical Bulletin; vol. 19; (1971); p. 722,723,726, View in Reaxys
Hydrobromid: Aus Patent; Sumitomo Chem. Co. Ltd.; DE1817794; (1971); Chem.Abstr.; vol. 75; nb. 63844, View in Reaxys Chromsaeureanhydrid, H2O, 2Benzyloxy-carbonylaminomethyl-1-methyl-5-nitro-3-phenylindolEisessig, HBr; F. 156-157grad, F. 160-165grad (Zers.) Hydrobromid: F. 160-165grad (Zers.)
Patent; Sumitomo Chem. Co.; DE1816046; (1970); Chem.Abstr.; vol. 73; nb. 120690, View in Reaxys
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HCl-Salz: F: 227-234grad (Zers.)
Patent; Sumitomo Chem. Comp.; US3770767; (1968); DE1811830; Chem.Abstr.; vol. 75; nb. 129844, View in Reaxys
Melting Point (7) 1 of 7
Melting Point [°C]
69 - 70
Patent; UNIVERSITA' DEGLI STUDI DI FIRENZE; A.I.L. FIRENZE SEZIONE AUTONOMA DI FIRENZE DELL'ASSOCIAZIONE ITALIANA CONTRO LE LEUCEMIE, LINFOMI E MIELOMA - ONLUS; WO2009/81349; (2009); (A1) English, View in Reaxys 2 of 7
Melting Point [°C]
69 - 70
Location
supporting information
Guandalini; Cellai; Laurenzana; Scapecchi; Paoletti; Romanelli; Bioorganic and Medicinal Chemistry Letters; vol. 18; nb. 18; (2008); p. 5071 - 5074, View in Reaxys 3 of 7
Melting Point [°C]
159 - 161
Sugasawa et al.; Journal of Heterocyclic Chemistry; vol. 16; (1979); p. 445,448, View in Reaxys 4 of 7
Melting Point [°C]
156 - 157
Patent; Hoffmann-La Roche Inc.; US3203990; (1962); Chem.Abstr.; vol. 64; nb. 3576f; (1966), View in Reaxys; Patent; Hoffmann-La Roche Inc.; US3109843; (1962); Chem.Abstr.; vol. 60; nb. 2994a; (1964), View in Reaxys; Patent; Reeder; Sternbach; US3141890; (1962); Chem.Abstr.; vol. 61; nb. 9514e; (1964), View in Reaxys; Patent; Hoffmann-La Roche; US3144439; (1962); Chem.Abstr.; vol. 63; nb. 8385c; (1965), View in Reaxys; Patent; Hoffmann-La Roche; DE1145626; (1963); Chem.Abstr.; vol. 60; nb. 12033h; (1964), View in Reaxys; Patent; Hoffmann-La Roche; DE1136709; (1962); Chem.Abstr.; vol. 59; nb. 12827; (1963), View in Reaxys; Patent; HoffmannLa Roche; US3243427; (1961); Chem.Abstr.; vol. 64; nb. 19647c; (1966), View in Reaxys; Patent; Hoffmann; US3121114; (1964); Chem.Abstr.; vol. 61; nb. 13332b; (1964), View in Reaxys; Patent; Hoffmann-La Roche Inc.; US3131178; (1964); Chem.Abstr.; vol. 61; nb. 4383c; (1964), View in Reaxys; de Silva et al.; Analytical Chemistry; vol. 48; (1976); p. 10,11, View in Reaxys; Patent; Sumitomo Chem. Co.; DE1816046; (1970); Chem.Abstr.; vol. 73; nb. 120690, View in Reaxys; Patent; Hoffmann-La Roche; BE648149; (1964); Chem.Abstr.; vol. 63; nb. 14889h; (1965), View in Reaxys; Patent; Hoffmann-La Roche; CH414652; (1966); US3427304, View in Reaxys; Patent; Hoffmann-La Roche; NL6405644; (1964); Chem.Abstr.; vol. 62; nb. 16137d; (1965), View in Reaxys 5 of 7
Melting Point [°C]
156 - 158
Patent; Sumitomo Chem. Comp.; DE1811830; (1971); Chem.Abstr.; vol. 75; nb. 129844; (1971), View in Reaxys 6 of 7
Melting Point [°C]
157 - 159
Patent; Sankyo Co. Ltd.; DE2164154; (1971); Chem.Abstr.; vol. 77; nb. 126704, View in Reaxys; Inaba et al.; Chemical and Pharmaceutical Bulletin; vol. 19; (1971); p. 722,723,726, View in Reaxys 7 of 7
Melting Point [°C]
156 - 157
Solvent (Melting Point)
ethanol
Sternbach,L.H. et al.; Journal of Medicinal Chemistry; vol. 6; (1963); p. 261 - 265, View in Reaxys Association (MCS) (4) 1 of 4
Description (Association Stability constant of the complex with ... (MCS)) Solvent (Association (MCS))
H2O
Temperature (Association (MCS)) [°C]
37
Partner (Association (MCS))
bovine albumin
Brandys; Negrusz; Pharmazie; vol. 42; nb. 5; (1987); p. 350 - 350, View in Reaxys 2 of 4
Description (Association Stability constant of the complex with ... (MCS)) Solvent (Association (MCS))
H2O
Temperature (Association (MCS)) [°C]
37
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Partner (Association (MCS))
human albumin
Brandys; Negrusz; Pharmazie; vol. 42; nb. 5; (1987); p. 350 - 350, View in Reaxys 3 of 4
Description (Association UV/VIS spectrum of the complex (MCS)) Temperature (Association (MCS)) [°C]
37
Partner (Association (MCS))
aq. HCl
Inotsume; Nakano; Journal of Pharmaceutical Sciences; vol. 69; nb. 11; (1980); p. 1331 - 1334, View in Reaxys 4 of 4
Description (Association UV/VIS spectrum of the complex (MCS)) Solvent (Association (MCS))
CHCl3
Temperature (Association (MCS)) [°C]
37
Partner (Association (MCS))
aq. HCl
Inotsume; Nakano; Journal of Pharmaceutical Sciences; vol. 69; nb. 11; (1980); p. 1331 - 1334, View in Reaxys Conformation (1) Object of Investi- References gation Conformer equilibrium
Sarrazin et al.; Organic Magnetic Resonance; vol. 7; (1975); p. 89,92, View in Reaxys
Crystal Property Description (2) Colour & Other Location Properties yellow
References Patent; UNIVERSITA' DEGLI STUDI DI FIRENZE; A.I.L. FIRENZE SEZIONE AUTONOMA DI FIRENZE DELL'ASSOCIAZIONE ITALIANA CONTRO LE LEUCEMIE, LINFOMI E MIELOMA - ONLUS; WO2009/81349; (2009); (A1) English, View in Reaxys
yellow
supporting information
Guandalini; Cellai; Laurenzana; Scapecchi; Paoletti; Romanelli; Bioorganic and Medicinal Chemistry Letters; vol. 18; nb. 18; (2008); p. 5071 - 5074, View in Reaxys
Dissociation Exponent (1) 1 of 1
Dissociation Exponent (pK)
2.53
Temperature (Dissociation Exponent) [°C]
37
Method (Dissociation Exponent)
spectrophotometric
Type (Dissociation Exponent)
a1/apparent
Inotsume; Nakano; Journal of Pharmaceutical Sciences; vol. 69; nb. 11; (1980); p. 1331 - 1334, View in Reaxys Electrochemical Behaviour (2) Description (Elec- References trochemical Behaviour) Electrolytic dissociation / protonation equilibrium
Inotsume; Nakano; Journal of Pharmaceutical Sciences; vol. 69; nb. 11; (1980); p. 1331 - 1334, View in Reaxys
Polarography
Senkowski et al.; Analytical Chemistry; vol. 36; (1964); p. 1991,1992, View in Reaxys
Further Information (2) Description (Fur- References ther Information)
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Further information
Patent; Sumitomo Chem. Co. Ltd.; DE1817794; (1971); Chem.Abstr.; vol. 75; nb. 63844, View in Reaxys
Further information
Patent; Hoffmann-La Roche; US3144439; (1962); Chem.Abstr.; vol. 63; nb. 8385c; (1965), View in Reaxys
Liquid/Liquid Systems (MCS) (2) 1 of 2
Description (Liquid/ Liquid Systems (MCS))
Distribution between solvent 1 + 2
Temperature (Liquid/ Liquid Systems (MCS)) [°C]
25
Partner (Liquid/Liquid Systems (MCS))
n-octanol, aq. phosphate buffer
Seiler; Zimmermann; Arzneimittel-Forschung/Drug Research; vol. 33; nb. 11; (1983); p. 1519 - 1522, View in Reaxys 2 of 2
Description (Liquid/ Liquid Systems (MCS))
Distribution between solvent 1 + 2
Nakano et al.; Chemical and Pharmaceutical Bulletin; vol. 27; (1979); p. 573,575, View in Reaxys Solubility (MCS) (1) 1 of 1
Nakano et al.; Chemical and Pharmaceutical Bulletin; vol. 27; (1979); p. 573,575, View in Reaxys
NMR Spectroscopy (14) 1 of 14
Nucleus (NMR Spectroscopy)
1H
Solvents (NMR Spectro- chloroform-d1 scopy) Original Text (NMR Spectroscopy)
[1H]-NMR (CDCI3): 3.48 (s, 3H, NCH3); 3.78 (d, J = 10.8 Hz, 1 H, CHH); 4.94 (d, J =10.8 Hz, 1 H, CHH); 7.42-7.46 (m, 2H, aromatic protons); 7.49-7.54 (m, 2H, aromatic protons); 7.58-760 (m, 2H, aromatic protons); 8.22 (d, J = 2.4 Hz, H-6); 8.41 (dd, J = 8.8, 2.4Hz, H-8) ppm.
Comment (NMR Spectroscopy)
Signals given
Patent; UNIVERSITA' DEGLI STUDI DI FIRENZE; A.I.L. FIRENZE SEZIONE AUTONOMA DI FIRENZE DELL'ASSOCIAZIONE ITALIANA CONTRO LE LEUCEMIE, LINFOMI E MIELOMA - ONLUS; WO2009/81349; (2009); (A1) English, View in Reaxys 2 of 14
Description (NMR Spec- Chemical shifts troscopy) Nucleus (NMR Spectroscopy)
1H
Solvents (NMR Spectro- chloroform-d1 scopy) Location
supporting information
Guandalini; Cellai; Laurenzana; Scapecchi; Paoletti; Romanelli; Bioorganic and Medicinal Chemistry Letters; vol. 18; nb. 18; (2008); p. 5071 - 5074, View in Reaxys 3 of 14
Description (NMR Spec- Spectrum troscopy) Nucleus (NMR Spectroscopy)
1H
Solvents (NMR Spectro- CDCl3 scopy) Finner; Zeugner; Archiv der Pharmazie; vol. 320; nb. 2; (1987); p. 179 - 182, View in Reaxys 4 of 14
Description (NMR Spec- Spectrum troscopy) Nucleus (NMR Spectroscopy)
13C
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Solvents (NMR Spectro- CDCl3 scopy) Finner; Zeugner; Archiv der Pharmazie; vol. 320; nb. 2; (1987); p. 179 - 182, View in Reaxys 5 of 14
Description (NMR Spec- Chemical shifts troscopy) Nucleus (NMR Spectroscopy)
13C
Solvents (NMR Spectro- CDCl3 scopy) Finner; Zeugner; Archiv der Pharmazie; vol. 320; nb. 2; (1987); p. 179 - 182, View in Reaxys; Paul, H.-H.; Sapper, H.; Lohmann, W.; Kalinowski, H. O.; Organic Magnetic Resonance; vol. 21; nb. 5; (1983); p. 319 - 321, View in Reaxys 6 of 14
Description (NMR Spec- Chemical shifts troscopy) Nucleus (NMR Spectroscopy)
1H
Solvents (NMR Spectro- CD2Cl2; various solvent(s) scopy) Temperature (NMR Spectroscopy) [°C]
-130
Finner; Zeugner; Archiv der Pharmazie; vol. 320; nb. 2; (1987); p. 179 - 182, View in Reaxys 7 of 14
Description (NMR Spec- Spin-spin coupling constants troscopy) Solvents (NMR Spectro- CDCl3 scopy) Comment (NMR Spectroscopy)
1H-1H, 13C-1H.
Finner; Zeugner; Archiv der Pharmazie; vol. 320; nb. 2; (1987); p. 179 - 182, View in Reaxys 8 of 14
Description (NMR Spec- 2D-NMR troscopy) Finner; Zeugner; Archiv der Pharmazie; vol. 320; nb. 2; (1987); p. 179 - 182, View in Reaxys
9 of 14
Description (NMR Spec- Chemical shifts troscopy) Nucleus (NMR Spectroscopy)
13C
Solvents (NMR Spectro- CDCl3; dimethylsulfoxide-d6 scopy) Temperature (NMR Spectroscopy) [°C]
30
Kovar; Linden; Breitmaier; Archiv der Pharmazie; vol. 314; nb. 2; (1981); p. 186 - 190, View in Reaxys 10 of 14
Description (NMR Spec- Spin-spin coupling constants troscopy) Solvents (NMR Spectro- CDCl3; dimethylsulfoxide-d6 scopy) Temperature (NMR Spectroscopy) [°C]
30
Comment (NMR Spectroscopy)
1H-13C.
Kovar; Linden; Breitmaier; Archiv der Pharmazie; vol. 314; nb. 2; (1981); p. 186 - 190, View in Reaxys 11 of 14
Description (NMR Spec- Chemical shifts troscopy)
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Nucleus (NMR Spectroscopy)
13C
Solvents (NMR Spectro- dimethylsulfoxide-d6 scopy) Temperature (NMR Spectroscopy) [°C]
28
Sarrazin, Marcel; Faure, Robert; Aubert, Claude; Vincent, Emile-Jean; Journal de Chimie Physique et de Physico-Chimie Biologique; vol. 77; nb. 1; (1980); p. 91 - 94, View in Reaxys 12 of 14
Description (NMR Spec- NMR troscopy) Comment (NMR Spectroscopy)
1H
Sarrazin et al.; Organic Magnetic Resonance; vol. 7; (1975); p. 89,92, View in Reaxys 13 of 14
Description (NMR Spec- NMR troscopy) Inaba et al.; Chemical and Pharmaceutical Bulletin; vol. 19; (1971); p. 722,723,726, View in Reaxys
14 of 14
Description (NMR Spec- NMR troscopy) Comment (NMR Spectroscopy)
Tab.1
Sadée; Archiv der Pharmazie und Berichte der Deutschen Pharmazeutischen Gesellschaft; vol. 302; nb. 10; (1969); p. 769 - 774, View in Reaxys IR Spectroscopy (1) 1 of 1
Description (IR Spectroscopy)
IR
Inaba et al.; Chemical and Pharmaceutical Bulletin; vol. 19; (1971); p. 722,723,726, View in Reaxys Mass Spectrometry (1) References Inaba et al.; Chemical and Pharmaceutical Bulletin; vol. 19; (1971); p. 722,723,726, View in Reaxys UV/VIS Spectroscopy (3) 1 of 3
Description (UV/VIS Spectroscopy)
Spectrum
Solvent (UV/VIS Spectroscopy)
aq. NaOH
Comment (UV/VIS Spectroscopy)
200 - 500 nm
Broxton, Trevor J.; Wright, Sallyanne; Journal of Organic Chemistry; vol. 51; nb. 15; (1986); p. 2965 - 2969, View in Reaxys 2 of 3
Description (UV/VIS Spectroscopy)
Absorption maxima
Solvent (UV/VIS Spectroscopy)
dioxane; various solvent(s)
Absorption Maxima (UV/ 280 VIS) [nm] Broxton; Morrison; Australian Journal of Chemistry; vol. 38; nb. 7; (1985); p. 1037 - 1043, View in Reaxys 3 of 3
Description (UV/VIS Spectroscopy)
UV/VIS
Inaba et al.; Chemical and Pharmaceutical Bulletin; vol. 19; (1971); p. 722,723,726, View in Reaxys Use (55) Use Pattern Pharmaceuticals
Location
References
Page/Page column 56; 58; 59;
Patent; THE REGENTS OF THE UNIVERSITY OF CALIFORNIA; ROGAWSKI, Michael A.; PESSAH, Isaac N.; CAO, Zhengyu; LEIN, Pamela J.; WO2014/28398; (2014); (A2) English, View in Reaxys
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60; 61; 62; 66; 67; 68 aura
Page/Page colPatent; THE REGENTS OF THE UNIVERSITY OF CALIFORNIA; ROGAWSKI, Michael umn 56; 58; 59; A.; PESSAH, Isaac N.; CAO, Zhengyu; LEIN, Pamela J.; WO2014/28398; (2014); (A2) 60; 61; 62; 66; 67; English, View in Reaxys 68
clonic seizure
Page/Page colPatent; THE REGENTS OF THE UNIVERSITY OF CALIFORNIA; ROGAWSKI, Michael umn 56; 58; 59; A.; PESSAH, Isaac N.; CAO, Zhengyu; LEIN, Pamela J.; WO2014/28398; (2014); (A2) 60; 61; 62; 66; 67; English, View in Reaxys 68
component of composition comprising a neurosteroid for terminating a seizure
Page/Page colPatent; THE REGENTS OF THE UNIVERSITY OF CALIFORNIA; ROGAWSKI, Michael umn 56; 58; 59; A.; PESSAH, Isaac N.; CAO, Zhengyu; LEIN, Pamela J.; WO2014/28398; (2014); (A2) 60; 61; 62; 66; 67; English, View in Reaxys 68
epilepticus
Page/Page colPatent; THE REGENTS OF THE UNIVERSITY OF CALIFORNIA; ROGAWSKI, Michael umn 56; 58; 59; A.; PESSAH, Isaac N.; CAO, Zhengyu; LEIN, Pamela J.; WO2014/28398; (2014); (A2) 60; 61; 62; 66; 67; English, View in Reaxys 68
for subject suffers Page/Page colPatent; THE REGENTS OF THE UNIVERSITY OF CALIFORNIA; ROGAWSKI, Michael from seizure clus- umn 56; 58; 59; A.; PESSAH, Isaac N.; CAO, Zhengyu; LEIN, Pamela J.; WO2014/28398; (2014); (A2) ters 60; 61; 62; 66; 67; English, View in Reaxys 68 for terminating an impending seizure
Page/Page colPatent; THE REGENTS OF THE UNIVERSITY OF CALIFORNIA; ROGAWSKI, Michael umn 56; 58; 59; A.; PESSAH, Isaac N.; CAO, Zhengyu; LEIN, Pamela J.; WO2014/28398; (2014); (A2) 60; 61; 62; 66; 67; English, View in Reaxys 68
myoclonic epilepsy
Page/Page colPatent; THE REGENTS OF THE UNIVERSITY OF CALIFORNIA; ROGAWSKI, Michael umn 56; 58; 59; A.; PESSAH, Isaac N.; CAO, Zhengyu; LEIN, Pamela J.; WO2014/28398; (2014); (A2) 60; 61; 62; 66; 67; English, View in Reaxys 68
tonic seizure
Page/Page colPatent; THE REGENTS OF THE UNIVERSITY OF CALIFORNIA; ROGAWSKI, Michael umn 56; 58; 59; A.; PESSAH, Isaac N.; CAO, Zhengyu; LEIN, Pamela J.; WO2014/28398; (2014); (A2) 60; 61; 62; 66; 67; English, View in Reaxys 68
Pharmaceuticals
Page/Page column 43; 44; 45
Patent; CuRNA, Inc.; COLLARD, Joseph; KHORKOVA SHERMAN, Olga; HSIAO, Jane H.; WO2013/36403; (2013); (A1) English, View in Reaxys
SCNIA-related seizure disorders
Page/Page column 43; 44; 45
Patent; CuRNA, Inc.; COLLARD, Joseph; KHORKOVA SHERMAN, Olga; HSIAO, Jane H.; WO2013/36403; (2013); (A1) English, View in Reaxys
a cardiovascular disease or disorder
Page/Page column 43; 44; 45
Patent; CuRNA, Inc.; COLLARD, Joseph; KHORKOVA SHERMAN, Olga; HSIAO, Jane H.; WO2013/36403; (2013); (A1) English, View in Reaxys
a disease or disPage/Page colorder associated umn 43; 44; 45 with misregulation of voltage-gated sodium channel alpha subunit activity
Patent; CuRNA, Inc.; COLLARD, Joseph; KHORKOVA SHERMAN, Olga; HSIAO, Jane H.; WO2013/36403; (2013); (A1) English, View in Reaxys
a disease or disPage/Page colorder associated umn 43; 44; 45 with neuromuscular system
Patent; CuRNA, Inc.; COLLARD, Joseph; KHORKOVA SHERMAN, Olga; HSIAO, Jane H.; WO2013/36403; (2013); (A1) English, View in Reaxys
a disease or disorder of the genitourinary tract involving sympathetic and parasympathetic innervation
Patent; CuRNA, Inc.; COLLARD, Joseph; KHORKOVA SHERMAN, Olga; HSIAO, Jane H.; WO2013/36403; (2013); (A1) English, View in Reaxys
Page/Page column 43; 44; 45
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a gastrointestinal tract disease due to dysfunction of the enteric nervous system
Page/Page column 43; 44; 45
Patent; CuRNA, Inc.; COLLARD, Joseph; KHORKOVA SHERMAN, Olga; HSIAO, Jane H.; WO2013/36403; (2013); (A1) English, View in Reaxys
a neurological disease or disorder
Page/Page column 43; 44; 45
Patent; CuRNA, Inc.; COLLARD, Joseph; KHORKOVA SHERMAN, Olga; HSIAO, Jane H.; WO2013/36403; (2013); (A1) English, View in Reaxys
ataxia
Page/Page column 43; 44; 45
Patent; CuRNA, Inc.; COLLARD, Joseph; KHORKOVA SHERMAN, Olga; HSIAO, Jane H.; WO2013/36403; (2013); (A1) English, View in Reaxys
autism
Page/Page column 43; 44; 45
Patent; CuRNA, Inc.; COLLARD, Joseph; KHORKOVA SHERMAN, Olga; HSIAO, Jane H.; WO2013/36403; (2013); (A1) English, View in Reaxys
benign prostrate hyperplasia
Page/Page column 43; 44; 45
Patent; CuRNA, Inc.; COLLARD, Joseph; KHORKOVA SHERMAN, Olga; HSIAO, Jane H.; WO2013/36403; (2013); (A1) English, View in Reaxys
colitis
Page/Page column 43; 44; 45
Patent; CuRNA, Inc.; COLLARD, Joseph; KHORKOVA SHERMAN, Olga; HSIAO, Jane H.; WO2013/36403; (2013); (A1) English, View in Reaxys
congestive heart failure
Page/Page column 43; 44; 45
Patent; CuRNA, Inc.; COLLARD, Joseph; KHORKOVA SHERMAN, Olga; HSIAO, Jane H.; WO2013/36403; (2013); (A1) English, View in Reaxys
convulsion
Page/Page column 43; 44; 45
Patent; CuRNA, Inc.; COLLARD, Joseph; KHORKOVA SHERMAN, Olga; HSIAO, Jane H.; WO2013/36403; (2013); (A1) English, View in Reaxys
epilepsy
Page/Page column 43; 44; 45
Patent; CuRNA, Inc.; COLLARD, Joseph; KHORKOVA SHERMAN, Olga; HSIAO, Jane H.; WO2013/36403; (2013); (A1) English, View in Reaxys
generalized epilepsy with febrile seizure plus (GEFS+)
Page/Page column 43; 44; 45
Patent; CuRNA, Inc.; COLLARD, Joseph; KHORKOVA SHERMAN, Olga; HSIAO, Jane H.; WO2013/36403; (2013); (A1) English, View in Reaxys
hyperkalemic periodic paralysis
Page/Page column 43; 44; 45
Patent; CuRNA, Inc.; COLLARD, Joseph; KHORKOVA SHERMAN, Olga; HSIAO, Jane H.; WO2013/36403; (2013); (A1) English, View in Reaxys
hypertension
Page/Page column 43; 44; 45
Patent; CuRNA, Inc.; COLLARD, Joseph; KHORKOVA SHERMAN, Olga; HSIAO, Jane H.; WO2013/36403; (2013); (A1) English, View in Reaxys
ileitis
Page/Page column 43; 44; 45
Patent; CuRNA, Inc.; COLLARD, Joseph; KHORKOVA SHERMAN, Olga; HSIAO, Jane H.; WO2013/36403; (2013); (A1) English, View in Reaxys
impaired electrical Page/Page colexcitability involv- umn 43; 44; 45 ing sodium channel dysfunction
Patent; CuRNA, Inc.; COLLARD, Joseph; KHORKOVA SHERMAN, Olga; HSIAO, Jane H.; WO2013/36403; (2013); (A1) English, View in Reaxys
impotence
Page/Page column 43; 44; 45
Patent; CuRNA, Inc.; COLLARD, Joseph; KHORKOVA SHERMAN, Olga; HSIAO, Jane H.; WO2013/36403; (2013); (A1) English, View in Reaxys
inflammatory bowel syndrome
Page/Page column 43; 44; 45
Patent; CuRNA, Inc.; COLLARD, Joseph; KHORKOVA SHERMAN, Olga; HSIAO, Jane H.; WO2013/36403; (2013); (A1) English, View in Reaxys
long Q-T syndrome 3
Page/Page column 43; 44; 45
Patent; CuRNA, Inc.; COLLARD, Joseph; KHORKOVA SHERMAN, Olga; HSIAO, Jane H.; WO2013/36403; (2013); (A1) English, View in Reaxys
migraine
Page/Page column 43; 44; 45
Patent; CuRNA, Inc.; COLLARD, Joseph; KHORKOVA SHERMAN, Olga; HSIAO, Jane H.; WO2013/36403; (2013); (A1) English, View in Reaxys
motor endplate disease
Page/Page column 43; 44; 45
Patent; CuRNA, Inc.; COLLARD, Joseph; KHORKOVA SHERMAN, Olga; HSIAO, Jane H.; WO2013/36403; (2013); (A1) English, View in Reaxys
multiple sclerosis
Page/Page column 43; 44; 45
Patent; CuRNA, Inc.; COLLARD, Joseph; KHORKOVA SHERMAN, Olga; HSIAO, Jane H.; WO2013/36403; (2013); (A1) English, View in Reaxys
muscular dystrophy
Page/Page column 43; 44; 45
Patent; CuRNA, Inc.; COLLARD, Joseph; KHORKOVA SHERMAN, Olga; HSIAO, Jane H.; WO2013/36403; (2013); (A1) English, View in Reaxys
pain (including chronic pain)
Page/Page column 43; 44; 45
Patent; CuRNA, Inc.; COLLARD, Joseph; KHORKOVA SHERMAN, Olga; HSIAO, Jane H.; WO2013/36403; (2013); (A1) English, View in Reaxys
paralysis
Page/Page column 43; 44; 45
Patent; CuRNA, Inc.; COLLARD, Joseph; KHORKOVA SHERMAN, Olga; HSIAO, Jane H.; WO2013/36403; (2013); (A1) English, View in Reaxys
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paramyotonia congenita
Page/Page column 43; 44; 45
Patent; CuRNA, Inc.; COLLARD, Joseph; KHORKOVA SHERMAN, Olga; HSIAO, Jane H.; WO2013/36403; (2013); (A1) English, View in Reaxys
potassium-aggravated myotonia
Page/Page column 43; 44; 45
Patent; CuRNA, Inc.; COLLARD, Joseph; KHORKOVA SHERMAN, Olga; HSIAO, Jane H.; WO2013/36403; (2013); (A1) English, View in Reaxys
preventing or Page/Page coltreating a disease umn 43; 44; 45 associated with at least one sodium channel, voltagegated, type I, alpha subunit (SCN1A) polynucleotide and/or at least one encoded product thereof
Patent; CuRNA, Inc.; COLLARD, Joseph; KHORKOVA SHERMAN, Olga; HSIAO, Jane H.; WO2013/36403; (2013); (A1) English, View in Reaxys
severe myoclonic epilepsy of infancy (SMEI or Dravet syndrome)
Page/Page column 43; 44; 45
Patent; CuRNA, Inc.; COLLARD, Joseph; KHORKOVA SHERMAN, Olga; HSIAO, Jane H.; WO2013/36403; (2013); (A1) English, View in Reaxys
sporadic and fam- Page/Page colilial hemiplegic umn 43; 44; 45 migraines
Patent; CuRNA, Inc.; COLLARD, Joseph; KHORKOVA SHERMAN, Olga; HSIAO, Jane H.; WO2013/36403; (2013); (A1) English, View in Reaxys
A reduction in the rate of decline of the clinical dementia rating (CDR) of the mammal
Page/Page column title page; 54-61
Patent; BUCK INSTITUTE FOR AGE RESEARCH; JOHN, Varghese; BREDESEN, Dale E.; WO2012/24616; (2012); (A1) English, View in Reaxys
A stabilization of Page/Page coldecline of the clin- umn title page; ical dementia rat- 54-61 ing (CDR) of the mammal
Patent; BUCK INSTITUTE FOR AGE RESEARCH; JOHN, Varghese; BREDESEN, Dale E.; WO2012/24616; (2012); (A1) English, View in Reaxys
APOE ε4 allele
Page/Page column title page; 54-61
Patent; BUCK INSTITUTE FOR AGE RESEARCH; JOHN, Varghese; BREDESEN, Dale E.; WO2012/24616; (2012); (A1) English, View in Reaxys
Alzheimer's disease
Page/Page column title page; 54-61
Patent; BUCK INSTITUTE FOR AGE RESEARCH; JOHN, Varghese; BREDESEN, Dale E.; WO2012/24616; (2012); (A1) English, View in Reaxys
Amyloidogenic diseases
Page/Page column title page; 54-61
Patent; BUCK INSTITUTE FOR AGE RESEARCH; JOHN, Varghese; BREDESEN, Dale E.; WO2012/24616; (2012); (A1) English, View in Reaxys
Familial Alzheimer's disease (FAD) mutation
Page/Page column title page; 54-61
Patent; BUCK INSTITUTE FOR AGE RESEARCH; JOHN, Varghese; BREDESEN, Dale E.; WO2012/24616; (2012); (A1) English, View in Reaxys
Improvement in Page/Page colthe rate of decline umn title page; of the clinical de- 54-61 mentia rating (CDR) of the mammal
Patent; BUCK INSTITUTE FOR AGE RESEARCH; JOHN, Varghese; BREDESEN, Dale E.; WO2012/24616; (2012); (A1) English, View in Reaxys
Mild cognitive impairment (MCI)
Page/Page column title page; 54-61
Patent; BUCK INSTITUTE FOR AGE RESEARCH; JOHN, Varghese; BREDESEN, Dale E.; WO2012/24616; (2012); (A1) English, View in Reaxys
Mild cognitive impairment (MCI) associated with amyloid deposits in the brain
Page/Page column title page; 54-61
Patent; BUCK INSTITUTE FOR AGE RESEARCH; JOHN, Varghese; BREDESEN, Dale E.; WO2012/24616; (2012); (A1) English, View in Reaxys
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Processing of Page/Page colamyloid precursor umn title page; protein (APP) by 54-61 the non-amyloidogenic pathway
Patent; BUCK INSTITUTE FOR AGE RESEARCH; JOHN, Varghese; BREDESEN, Dale E.; WO2012/24616; (2012); (A1) English, View in Reaxys
Reduction of the Page/Page colplaque load in the umn title page; brain of the mam- 54-61 mal
Patent; BUCK INSTITUTE FOR AGE RESEARCH; JOHN, Varghese; BREDESEN, Dale E.; WO2012/24616; (2012); (A1) English, View in Reaxys
inhibiting, reducPage/Page coling, delaying umn title page; and/or preventing 54-61 the progression of MCI to Alzheimer's disease
Patent; BUCK INSTITUTE FOR AGE RESEARCH; JOHN, Varghese; BREDESEN, Dale E.; WO2012/24616; (2012); (A1) English, View in Reaxys
(0) Medchem (74) 1 of 74
Target Mutant/Chimera Details
5-hydroxytryptamine receptor [Rattus norvegicus]:Wild; Ionotropic Gamma aminobutyric acid A receptor [Rattus norvegicus]:Wild
Target Species (Bioactivity)
Rattus norvegicus; Rattus norvegicus
Target Subunit Proteins
5-hydroxytryptamine receptor [Rattus norvegicus]; Ionotropic Gamma aminobutyric acid A receptor [Rattus norvegicus]
Target Transfection
Non Transfected; Non Transfected
Bioassay Category
In Vivo (Animal models)
Bioassay Name
Specific behaviour
Biological Species/NCBI Sprague Dawley rat ID Substance RN
759813View in Reaxys
Substance Name
Nimetazepam
Substance Dose
10 mg/kg
Substance Route of Adm.
intraperitoneal administration
Substance Dosing Regi- Single men Measurement Parameter
%
Unit
%
Quantitative value
33
Target, Subunit, Species 5-hydroxytryptamine receptor [Rattus norvegicus]; Ionotropic Gamma aminobutyric acid A receptor [Rattus norvegicus] 2 of 74
Target Mutant/Chimera Details
5-hydroxytryptamine receptor [Rattus norvegicus]:Wild; Ionotropic Gamma aminobutyric acid A receptor [Rattus norvegicus]:Wild
Target Species (Bioactivity)
Rattus norvegicus; Rattus norvegicus
Target Subunit Proteins
5-hydroxytryptamine receptor [Rattus norvegicus]; Ionotropic Gamma aminobutyric acid A receptor [Rattus norvegicus]
Target Transfection
Non Transfected; Non Transfected
Bioassay Category
In Vivo (Animal models)
Bioassay Name
Specific behaviour
Biological Species/NCBI Sprague Dawley rat ID
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Substance RN
759813View in Reaxys
Substance Name
Nimetazepam
Substance Dose
20 mg/kg
Substance Route of Adm.
intraperitoneal administration
Substance Dosing Regi- Single men Measurement Parameter
%
Unit
%
Quantitative value
40
Target, Subunit, Species 5-hydroxytryptamine receptor [Rattus norvegicus]; Ionotropic Gamma aminobutyric acid A receptor [Rattus norvegicus] 3 of 74
Target Mutant/Chimera Details
5-hydroxytryptamine receptor [Rattus norvegicus]:Wild; Ionotropic Gamma aminobutyric acid A receptor [Rattus norvegicus]:Wild
Target Species (Bioactivity)
Rattus norvegicus; Rattus norvegicus
Target Subunit Proteins
5-hydroxytryptamine receptor [Rattus norvegicus]; Ionotropic Gamma aminobutyric acid A receptor [Rattus norvegicus]
Target Transfection
Non Transfected; Non Transfected
Bioassay Category
In Vivo (Animal models)
Bioassay Name
Specific behaviour
Biological Species/NCBI Sprague Dawley rat ID Substance RN
759813View in Reaxys
Substance Name
Nimetazepam
Substance Dose
30 mg/kg
Substance Route of Adm.
intraperitoneal administration
Substance Dosing Regi- Single men Measurement Parameter
%
Unit
%
Quantitative value
67
Target, Subunit, Species 5-hydroxytryptamine receptor [Rattus norvegicus]; Ionotropic Gamma aminobutyric acid A receptor [Rattus norvegicus] 4 of 74
Target Mutant/Chimera Details
5-hydroxytryptamine receptor [Rattus norvegicus]:Wild; Ionotropic Gamma aminobutyric acid A receptor [Rattus norvegicus]:Wild
Target Species (Bioactivity)
Rattus norvegicus; Rattus norvegicus
Target Subunit Proteins
5-hydroxytryptamine receptor [Rattus norvegicus]; Ionotropic Gamma aminobutyric acid A receptor [Rattus norvegicus]
Target Transfection
Non Transfected; Non Transfected
Bioassay Category
In Vivo (Animal models)
Bioassay Name
Specific behaviour
Biological Species/NCBI Sprague Dawley rat ID Substance RN
759813View in Reaxys
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Substance Name
Nimetazepam
Substance Dose
60 mg/kg
Substance Route of Adm.
intraperitoneal administration
Substance Dosing Regi- Single men Measurement Parameter
%
Unit
%
Quantitative value
38
Target, Subunit, Species 5-hydroxytryptamine receptor [Rattus norvegicus]; Ionotropic Gamma aminobutyric acid A receptor [Rattus norvegicus] 5 of 74
Target Mutant/Chimera Details
5-hydroxytryptamine receptor [Rattus norvegicus]:Wild; Ionotropic Gamma aminobutyric acid A receptor [Rattus norvegicus]:Wild
Target Species (Bioactivity)
Rattus norvegicus; Rattus norvegicus
Target Subunit Proteins
5-hydroxytryptamine receptor [Rattus norvegicus]; Ionotropic Gamma aminobutyric acid A receptor [Rattus norvegicus]
Target Transfection
Non Transfected; Non Transfected
Bioassay Category
In Vivo (Animal models)
Bioassay Name
Specific behaviour
Biological Species/NCBI Sprague Dawley rat ID Substance RN
759813View in Reaxys
Substance Name
Nimetazepam
Substance Dose
10 mg/kg
Substance Route of Adm.
intraperitoneal administration
Substance Dosing Regi- Single men Measurement Parameter
Number
Quantitative value
2.3
Deviation
2.40000
Target, Subunit, Species 5-hydroxytryptamine receptor [Rattus norvegicus]; Ionotropic Gamma aminobutyric acid A receptor [Rattus norvegicus] 6 of 74
Target Mutant/Chimera Details
5-hydroxytryptamine receptor [Rattus norvegicus]:Wild; Ionotropic Gamma aminobutyric acid A receptor [Rattus norvegicus]:Wild
Target Species (Bioactivity)
Rattus norvegicus; Rattus norvegicus
Target Subunit Proteins
5-hydroxytryptamine receptor [Rattus norvegicus]; Ionotropic Gamma aminobutyric acid A receptor [Rattus norvegicus]
Target Transfection
Non Transfected; Non Transfected
Bioassay Category
In Vivo (Animal models)
Bioassay Name
Specific behaviour
Biological Species/NCBI Sprague Dawley rat ID Substance RN
759813View in Reaxys
Substance Name
Nimetazepam
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Substance Dose
20 mg/kg
Substance Route of Adm.
intraperitoneal administration
Substance Dosing Regi- Single men Measurement Parameter
Number
Quantitative value
2
Deviation
1.80000
Target, Subunit, Species 5-hydroxytryptamine receptor [Rattus norvegicus]; Ionotropic Gamma aminobutyric acid A receptor [Rattus norvegicus] 7 of 74
Target Mutant/Chimera Details
5-hydroxytryptamine receptor [Rattus norvegicus]:Wild; Ionotropic Gamma aminobutyric acid A receptor [Rattus norvegicus]:Wild
Target Species (Bioactivity)
Rattus norvegicus; Rattus norvegicus
Target Subunit Proteins
5-hydroxytryptamine receptor [Rattus norvegicus]; Ionotropic Gamma aminobutyric acid A receptor [Rattus norvegicus]
Target Transfection
Non Transfected; Non Transfected
Bioassay Category
In Vivo (Animal models)
Bioassay Name
Specific behaviour
Biological Species/NCBI Sprague Dawley rat ID Substance RN
759813View in Reaxys
Substance Name
Nimetazepam
Substance Dose
30 mg/kg
Substance Route of Adm.
intraperitoneal administration
Substance Dosing Regi- Single men Measurement Parameter
Number
Quantitative value
8
Deviation
2.20000
Target, Subunit, Species 5-hydroxytryptamine receptor [Rattus norvegicus]; Ionotropic Gamma aminobutyric acid A receptor [Rattus norvegicus] 8 of 74
Target Mutant/Chimera Details
5-hydroxytryptamine receptor [Rattus norvegicus]:Wild; Ionotropic Gamma aminobutyric acid A receptor [Rattus norvegicus]:Wild
Target Species (Bioactivity)
Rattus norvegicus; Rattus norvegicus
Target Subunit Proteins
5-hydroxytryptamine receptor [Rattus norvegicus]; Ionotropic Gamma aminobutyric acid A receptor [Rattus norvegicus]
Target Transfection
Non Transfected; Non Transfected
Bioassay Category
In Vivo (Animal models)
Bioassay Name
Specific behaviour
Biological Species/NCBI Sprague Dawley rat ID Substance RN
759813View in Reaxys
Substance Name
Nimetazepam
Substance Dose
60 mg/kg
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Substance Route of Adm.
intraperitoneal administration
Substance Dosing Regi- Single men Measurement Parameter
Number
Quantitative value
7.9
Deviation
0.800000
Target, Subunit, Species 5-hydroxytryptamine receptor [Rattus norvegicus]; Ionotropic Gamma aminobutyric acid A receptor [Rattus norvegicus] 9 of 74
Bioassay Category
Metabolism/Transport
Bioassay Name
Binding
Biological Species/NCBI Human ID Population State
Healthy
Organs/Tissues
plasma
Substance RN
759813View in Reaxys
Substance Name
C-3453
Substance Dose
5 µg/mL
Measurement Parameter
fu
Quantitative value
0.187
Deviation
0.0400000
Lucek; Coutinho; Molecular Pharmacology; vol. 12; nb. 4; (1976); p. 612 - 619, View in Reaxys 10 of 74
Substance Effect
Anticonvulsant
Bioassay Category
In Vivo (Animal models)
Bioassay Name
In vivo Measurement
Bioassay Details
Effect : seizure stage Bioassay : AD: afterdischarge bipolar electrodes implanted into right amygdala of rats; stimulation: 60 Hz, 1 ms and 1 s duration at intensity sufficient to induce AD; stimulation performed 1 h after title comp. administration; amygdaloid kindling classified by Racine method
Biological Species/NCBI Rattus norvegicus ID Substance RN
759813View in Reaxys
Substance Name
89458
Substance Dose
0.500000 mg/kg
Substance Route of Adm.
oral administration
Measurement Parameter
ED50
Unit
mg/kg
Quantitative value
1.26
Fukinaga, Masafumi; Ishizawa, Keisuke; Kamei, Chiaki; Pharmacology; vol. 57; nb. 5; (1998); p. 233 - 241, View in Reaxys 11 of 74
Bioassay Category
In Vitro (Efficacy)
Bioassay Name
In Vitro (others)
Substance RN
759813View in Reaxys
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Substance Name
89458
Qualitative Results
parameters of binding to serum proteins at pH 7.4, obtained from the fluorescence method
Measurement Parameter
Qualitative
Maruyama; Furuie; Hibino; Otagiri; Journal of Pharmaceutical Sciences; vol. 81; nb. 1; (1992); p. 16 - 20, View in Reaxys 12 of 74
Target Mutant/Chimera Details
Ionotropic Gamma aminobutyric acid A receptor [taurine cattle]:Wild
Target Species (Bioactivity)
taurine cattle
Target Subunit Proteins
Ionotropic Gamma aminobutyric acid A receptor [taurine cattle]
Target Transfection
Non Transfected
Bioassay Category
In Vitro (Efficacy)
Bioassay Name
Binding
Biological Species/NCBI taurine cattle ID Organs/Tissues
brain cortex
Cell Fraction
Membrane
Substance RN
759813View in Reaxys
Substance Name
14
Measurement Parameter
IC50
Unit
nM
Quantitative value
64
Measurement pX
7.19
Target, Subunit, Species Ionotropic Gamma aminobutyric acid A receptor [taurine cattle] 13 of 74
Bioassay Category
In Vitro (Efficacy)
Bioassay Name
In Vitro (others)
Bioassay Details
Effect : pro-Alzheimer's disease fragment level; effect on Species : J20 mouse Bioassay : primary neurons derived from hippocampi J20 (PDAPP Mouse Model) Primary Neuronal Cells[0144] This example provides experimental methods for measurement of sAPPalpha, Αβ42 and APPneo in primary neuronal cells.[0145] In vitro primary culture compound testing assay: Primary neuronal cultures were made from embryonic 18 day mice J20
Substance RN
759813View in Reaxys
Substance Name
IV
Qualitative Results
sAPPalpha (% control) = 89 at 1 μmol/l; Abeta42 (% control) = 24 at 1 μmol/l
Measurement Parameter
Qualitative
Patent; BUCK INSTITUTE FOR AGE RESEARCH; JOHN, Varghese; BREDESEN, Dale E.; WO2012/24616; (2012); (A1) English, View in Reaxys 14 of 74
Bioassay Category
Toxicity/Safety Pharmacology
Bioassay Details
Intraperitoneal lethal dose in mouse
Biological Species/NCBI Mus musculus ID Substance RN
759813View in Reaxys
Measurement Parameter
LD50
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Unit
mg/kg
Qualitative value
=
Quantitative value
510
Oyo yakuri; vol. 7; nb. 705; (1973), View in Reaxys 15 of 74
Bioassay Category
Toxicity/Safety Pharmacology
Bioassay Details
Subcutaneous lethal dose in Mouse
Biological Species/NCBI Mus musculus ID Substance RN
759813View in Reaxys
Measurement Parameter
LD50
Unit
mg/kg
Qualitative value
=
Quantitative value
5000
Oyo yakuri; vol. 7; nb. 705; (1973), View in Reaxys 16 of 74
Bioassay Category
Toxicity/Safety Pharmacology
Bioassay Details
Toxic activity of compound in mice upon oral administration was determined
Biological Species/NCBI Mus musculus ID Substance RN
759813View in Reaxys
Substance Route of Adm.
oral administration
Measurement Parameter
LD50
Unit
mg/kg
Qualitative value
=
Quantitative value
750
Esteki, Mahnaz; Khayamian, Taghi; Chemical Biology and Drug Design; vol. 72; nb. 5; (2008); p. 409 - 435, View in Reaxys 17 of 74
Target Mutant/Chimera Details
Peripheral-type benzodiazepine receptor-associated protein 1:Wild
Substance Action on Target
Radioligand (/ligand)
Target Subunit Proteins
Peripheral-type benzodiazepine receptor-associated protein 1
Bioassay Category
In Vitro (Efficacy)
Bioassay Details
Binding affinity of the compound towards benzodiazepine receptor
Substance RN
759813View in Reaxys
Measurement Parameter
Qualitative
Qualitative value
Not Published
Target, Subunit, Species Peripheral-type benzodiazepine receptor-associated protein 1 18 of 74
Bioassay Category
In Vivo (Animal models)
Bioassay Details
Anticonvulsant activity expressed as the dose which prevented convulsions in 50 of the mice tested after subcutaneous administration of 125 mg/kg was measured by metrazole test
Biological Species/NCBI Mus musculus ID
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Substance RN
759813View in Reaxys
Substance Route of Adm.
subcutaneous administration
Measurement Parameter
ED50
Unit
mg/kg
Qualitative value
=
Quantitative value
2.69
Blair; Webb; Journal of Medicinal Chemistry; vol. 20; nb. 9; (1977); p. 1206 - 1210, View in Reaxys 19 of 74
Bioassay Category
In Vitro (Efficacy)
Bioassay Details
Sedation and muscle relaxation effect expressed as dose required to produce relaxation of the body and hind legs when the cats were suspended by the scruff of the neck
Biological Species/NCBI domestic cat ID Substance RN
759813View in Reaxys
Measurement Parameter
MED
Unit
mg/kg
Qualitative value
=
Quantitative value
3.46
Blair; Webb; Journal of Medicinal Chemistry; vol. 20; nb. 9; (1977); p. 1206 - 1210, View in Reaxys 20 of 74
Bioassay Category
In Vitro (Efficacy)
Bioassay Details
Sedative and muscle relaxant effect expressed as dose which caused three out of six mice to slide off a 70 degree inclined screen
Biological Species/NCBI Mus musculus ID Substance RN
759813View in Reaxys
Measurement Parameter
ED50
Unit
mg/kg
Qualitative value
=
Quantitative value
1.46
Blair; Webb; Journal of Medicinal Chemistry; vol. 20; nb. 9; (1977); p. 1206 - 1210, View in Reaxys 21 of 74
Bioassay Category
In Vitro (Efficacy)
Bioassay Details
Taming activity expressed as dose required to tame pairs of fighting mice, their aggression being stimulated by an electrical current applied to their feet using footshock or fighting mice test
Biological Species/NCBI Mus musculus ID Substance RN
759813View in Reaxys
Measurement Parameter
MED
Unit
mg/kg
Qualitative value
=
Quantitative value
2.07
Blair; Webb; Journal of Medicinal Chemistry; vol. 20; nb. 9; (1977); p. 1206 - 1210, View in Reaxys 22 of 74
Target Mutant/Chimera Details
Peripheral-type benzodiazepine receptor-associated protein 1:Wild
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Target Subunit Proteins
Peripheral-type benzodiazepine receptor-associated protein 1
Bioassay Category
In Vitro (Efficacy)
Bioassay Details
Activity of the compound against Benzodiazepine receptor
Substance RN
759813View in Reaxys
Measurement Parameter
Qualitative
Qualitative value
Not Published
Target, Subunit, Species Peripheral-type benzodiazepine receptor-associated protein 1 23 of 74
Bioassay Category
Metabolism/Transport
Bioassay Details
Partition Coefficient of the compound was determined
Substance RN
759813View in Reaxys
Measurement Parameter
Qualitative
Qualitative value
Not Published
Dimitra Hadjipavlou-Litina; Corwin Hansch; Chemical reviews; vol. 94; nb. 6; (1994); p. 1483 - 1505, View in Reaxys 24 of 74
Bioassay Category
Metabolism/Transport
Bioassay Details
Partition Coefficient of the compound was determined
Substance RN
759813View in Reaxys
Measurement Parameter
Qualitative
Qualitative value
Not Published
Dimitra Hadjipavlou-Litina; Corwin Hansch; Chemical reviews; vol. 94; nb. 6; (1994); p. 1483 - 1505, View in Reaxys 25 of 74
Bioassay Category
In Vitro (Efficacy)
Bioassay Details
Anticonvulsant activity of compound was evaluated using anti-pentylenetetrazole test mouse
Biological Species/NCBI Mus musculus ID Substance RN
759813View in Reaxys
Measurement Parameter
pIC50
Quantitative value
2.69
Measurement pX
2.69
Dimitra Hadjipavlou-Litina; Corwin Hansch; Chemical reviews; vol. 94; nb. 6; (1994); p. 1483 - 1505, View in Reaxys 26 of 74
Bioassay Category
In Vitro (Efficacy)
Bioassay Details
Logarithm of effective dose of the compound determined using foot-shock test in mice
Biological Species/NCBI Mus musculus ID Substance RN
759813View in Reaxys
Unit
mM/kg
Qualitative value
=
Quantitative value
2.07
Lukovits; Journal of Medicinal Chemistry; vol. 26; nb. 8; (1983); p. 1104 - 1109, View in Reaxys 27 of 74
Substance Effect
Antiviral
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Bioassay Category
In Vitro (Efficacy)
Bioassay Details
Percent of HEPATITIS C VIRUS infection in HUH-7.5.1-c2 cells at 10 uM compound (dissolved in DMSO) concentration upon incubation at 37 degree C for 3 days relative to control
Biological Species/NCBI Hepatitis C virus ID Cells/Cell Lines
Huh-7.5.1
Substance RN
759813View in Reaxys
Measurement Parameter
%
Unit
%
Qualitative value
=
Quantitative value
123.3
Gastaminza, Pablo; Whitten-Bauer, Christina; Chisari, Francis V.; Proceedings of the National Academy of Sciences of the United States of America; vol. 107; nb. 1; (2010); p. 291 - 296, View in Reaxys 28 of 74
Substance Effect
Toxic
Bioassay Category
Toxicity/Safety Pharmacology
Bioassay Details
Toxicity of the compound was determined by evaluating remaining HUH-7.5.1-c2 cell biomass upon incubation for 72 hours
Cells/Cell Lines
Huh-7.5.1
Substance RN
759813View in Reaxys
Measurement Parameter
Toxicity
Unit
%
Qualitative value
=
Quantitative value
94.9
Gastaminza, Pablo; Whitten-Bauer, Christina; Chisari, Francis V.; Proceedings of the National Academy of Sciences of the United States of America; vol. 107; nb. 1; (2010); p. 291 - 296, View in Reaxys 29 of 74
Bioassay Category
Toxicity/Safety Pharmacology
Bioassay Details
Lethal dose in rat following subcutaneous administration
Biological Species/NCBI Mus musculus ID Substance RN
759813View in Reaxys
Substance Route of Adm.
subcutaneous administration
Qualitative Results
> 5000
Measurement Parameter
LD50
Unit
mg/kg
Quantitative value
5000
Oyo Yakuri. Pharmacometrics, 1973, 7, 705; vol. 7; (1973); p. 705, View in Reaxys 30 of 74
Bioassay Category
Toxicity/Safety Pharmacology
Bioassay Details
Lowest published toxic dose upon oral administration in female 8-14 days rats after conception
Biological Species/NCBI Rattus norvegicus ID Substance RN
759813View in Reaxys
Qualitative Results
700
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Measurement Parameter
TDLo
Unit
mg/kg
Quantitative value
700
Saito; Kobayashi; Takeno; Sakai; Research Communications in Chemical Pathology and Pharmacology; vol. 46; nb. 3; (1984); p. 437 - 447, View in Reaxys 31 of 74
Bioassay Category
Toxicity/Safety Pharmacology
Bioassay Details
Oral lethal dose in mouse
Biological Species/NCBI Mus musculus ID Substance RN
759813View in Reaxys
Substance Route of Adm.
oral administration
Measurement Parameter
LD50
Unit
mg/kg
Qualitative value
=
Quantitative value
750
Sakai; Kitagawa; Yamamoto; Arzneimittel-Forschung; vol. 22; nb. 3; (1972); p. 534 - 539, View in Reaxys 32 of 74
Bioassay Category
Toxicity/Safety Pharmacology
Bioassay Details
Lethal dose upon oral administration in mouse
Biological Species/NCBI Mus musculus ID Substance RN
759813View in Reaxys
Qualitative Results
750
Measurement Parameter
LD50
Unit
mg/kg
Quantitative value
750
Sakai; Kitagawa; Yamamoto; Arzneimittel-Forschung; vol. 22; nb. 3; (1972); p. 534 - 539, View in Reaxys 33 of 74
Bioassay Category
Toxicity/Safety Pharmacology
Bioassay Details
Subcutaneous lethal dose in rat; 1000 mg/Kg
Biological Species/NCBI Rattus norvegicus ID Substance RN
759813View in Reaxys
Substance Route of Adm.
subcutaneous administration
Measurement Parameter
LD50
Unit
mg/kg
Qualitative value
=
Quantitative value
1000
Sakai; Kitagawa; Yamamoto; Arzneimittel-Forschung; vol. 22; nb. 3; (1972); p. 534 - 539, View in Reaxys 34 of 74
Bioassay Category
Toxicity/Safety Pharmacology
Bioassay Details
Lethal dose upon oral administration in rat
Biological Species/NCBI Rattus norvegicus ID
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Substance RN
759813View in Reaxys
Qualitative Results
970
Measurement Parameter
LD50
Unit
mg/kg
Quantitative value
970
Sakai; Kitagawa; Yamamoto; Arzneimittel-Forschung; vol. 22; nb. 3; (1972); p. 534 - 539, View in Reaxys 35 of 74
Bioassay Category
Toxicity/Safety Pharmacology
Bioassay Details
Oral lethal dose in rat
Biological Species/NCBI Rattus norvegicus ID Substance RN
759813View in Reaxys
Substance Route of Adm.
oral administration
Measurement Parameter
LD50
Unit
mg/kg
Qualitative value
=
Quantitative value
970
Sakai; Kitagawa; Yamamoto; Arzneimittel-Forschung; vol. 22; nb. 3; (1972); p. 534 - 539, View in Reaxys 36 of 74
Bioassay Category
Toxicity/Safety Pharmacology
Bioassay Details
Lethal dose in pig following peroral administration causes nausea or vomiting
Biological Species/NCBI Rattus norvegicus ID Substance RN
759813View in Reaxys
Substance Route of Adm.
oral administration
Qualitative Results
> 1000
Measurement Parameter
LD50
Unit
mg/kg
Quantitative value
1000
Sakai; Kitagawa; Yamamoto; Arzneimittel-Forschung; vol. 22; nb. 3; (1972); p. 534 - 539, View in Reaxys 37 of 74
Bioassay Category
Toxicity/Safety Pharmacology
Bioassay Details
Lethal dose upon intraperitoneal administration in mouse
Biological Species/NCBI Mus musculus ID Substance RN
759813View in Reaxys
Qualitative Results
510
Measurement Parameter
LD50
Unit
mg/kg
Quantitative value
510
Oyo Yakuri. Pharmacometrics, 1973, 7, 705; vol. 7; (1973); p. 705, View in Reaxys 38 of 74
Bioassay Category
Toxicity/Safety Pharmacology
Bioassay Details
Intraperitoneal lethal dose in rat
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Biological Species/NCBI Rattus norvegicus ID Substance RN
759813View in Reaxys
Measurement Parameter
LD50
Unit
mg/kg
Qualitative value
=
Quantitative value
970
Sakai; Kitagawa; Yamamoto; Arzneimittel-Forschung; vol. 22; nb. 3; (1972); p. 534 - 539, View in Reaxys 39 of 74
Bioassay Category
Toxicity/Safety Pharmacology
Bioassay Details
Toxic dose required to cause fetotoxicity in rat
Biological Species/NCBI Rattus norvegicus ID Substance RN
759813View in Reaxys
Measurement Parameter
TD
Unit
mg/kg
Qualitative value
=
Quantitative value
100
Saito; Kobayashi; Takeno; Sakai; Research Communications in Chemical Pathology and Pharmacology; vol. 46; nb. 3; (1984); p. 437 - 447, View in Reaxys 40 of 74
Bioassay Category
Toxicity/Safety Pharmacology
Bioassay Details
Lethal dose upon intraperitoneal administration in rat
Biological Species/NCBI Rattus norvegicus ID Substance RN
759813View in Reaxys
Qualitative Results
970
Measurement Parameter
LD50
Unit
mg/kg
Quantitative value
970
Sakai; Kitagawa; Yamamoto; Arzneimittel-Forschung; vol. 22; nb. 3; (1972); p. 534 - 539, View in Reaxys 41 of 74
Bioassay Category
In Vitro (Efficacy)
Bioassay Details
Activity of the compound was determined by using Clined screen test
Substance RN
759813View in Reaxys
Measurement Parameter
Activity
Quantitative value
4.47
Aoyama; Suzuki; Ichikawa; Journal of Medicinal Chemistry; vol. 33; nb. 9; (1990); p. 2583 - 2590, View in Reaxys 42 of 74
Bioassay Category
In Vitro (Efficacy)
Bioassay Details
Anti-pentylenetetrazole effect of the compound was determined
Substance RN
759813View in Reaxys
Measurement Parameter
Activity
Quantitative value
5.62
Aoyama; Suzuki; Ichikawa; Journal of Medicinal Chemistry; vol. 33; nb. 9; (1990); p. 2583 - 2590, View in Reaxys
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43 of 74
Bioassay Category
In Vitro (Efficacy)
Bioassay Details
Anti-fighting behaviour of the compound was determined
Substance RN
759813View in Reaxys
Measurement Parameter
Activity
Quantitative value
5.07
Aoyama; Suzuki; Ichikawa; Journal of Medicinal Chemistry; vol. 33; nb. 9; (1990); p. 2583 - 2590, View in Reaxys 44 of 74
Bioassay Category
Pharmacokinetic
Bioassay Details
Time to reach peak blood levels of desmethyl derivative (nitrazepam) of compound in dog after p.o. administration
Biological Species/NCBI dog ID Substance RN
759813View in Reaxys
Substance Route of Adm.
oral administration
Measurement Parameter
Tmax
Unit
hour
Qualitative value
=
Quantitative value
4
Yanagi; Haga; Endo; Kitagawa; Xenobiotica; vol. 6; nb. 2; (1976); p. 101 - 112, View in Reaxys 45 of 74
Bioassay Category
Pharmacokinetic
Bioassay Details
Peak blood levels of desmethyl derivative (nitrazepam) of compound in dog after p.o. administration
Biological Species/NCBI dog ID Substance RN
759813View in Reaxys
Substance Route of Adm.
oral administration
Qualitative Results
5.2-6.3
Measurement Parameter
Cmax
Unit
µg/mL
Qualitative value
=
Quantitative value
6.3
Yanagi; Haga; Endo; Kitagawa; Xenobiotica; vol. 6; nb. 2; (1976); p. 101 - 112, View in Reaxys 46 of 74
Bioassay Category
Metabolism/Transport
Bioassay Details
Urinary excretion of desmethyl derivative (nitrazepam) of compound in dog after 24-48 h of p.o. administration
Biological Species/NCBI dog ID Substance RN
759813View in Reaxys
Substance Route of Adm.
oral administration
Measurement Parameter
Ue (%)
Unit
%
Qualitative value
=
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Quantitative value
12
Yanagi; Haga; Endo; Kitagawa; Xenobiotica; vol. 6; nb. 2; (1976); p. 101 - 112, View in Reaxys 47 of 74
Bioassay Category
Metabolism/Transport
Bioassay Details
Fecal excretion of compound in dog after 24 h of p.o. administration
Biological Species/NCBI dog ID Substance RN
759813View in Reaxys
Substance Route of Adm.
oral administration
Measurement Parameter
%
Unit
%
Qualitative value
=
Quantitative value
52
Yanagi; Haga; Endo; Kitagawa; Xenobiotica; vol. 6; nb. 2; (1976); p. 101 - 112, View in Reaxys 48 of 74
Bioassay Category
Metabolism/Transport
Bioassay Details
Percent excretion of compound in urine of dog after 48-72 h upon oral administration
Biological Species/NCBI dog ID Substance RN
759813View in Reaxys
Substance Route of Adm.
oral administration
Measurement Parameter
Excretion
Unit
%
Qualitative value
=
Quantitative value
4
Yanagi; Haga; Endo; Kitagawa; Xenobiotica; vol. 6; nb. 2; (1976); p. 101 - 112, View in Reaxys 49 of 74
Bioassay Category
Metabolism/Transport
Bioassay Details
Fecal excretion of desmethyl derivative (nitrazepam)of compound in dog after 24 h of p.o. administration
Biological Species/NCBI dog ID Substance RN
759813View in Reaxys
Substance Route of Adm.
oral administration
Measurement Parameter
%
Unit
%
Qualitative value
=
Quantitative value
71
Yanagi; Haga; Endo; Kitagawa; Xenobiotica; vol. 6; nb. 2; (1976); p. 101 - 112, View in Reaxys 50 of 74
Bioassay Category
Metabolism/Transport
Bioassay Details
Fecal excretion of desmethyl derivative (nitrazepam) of compound in dog after 48-72 h of p.o. administration
Biological Species/NCBI dog ID
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Substance RN
759813View in Reaxys
Substance Route of Adm.
oral administration
Measurement Parameter
%
Unit
%
Qualitative value
=
Quantitative value
3
Yanagi; Haga; Endo; Kitagawa; Xenobiotica; vol. 6; nb. 2; (1976); p. 101 - 112, View in Reaxys 51 of 74
Bioassay Category
Metabolism/Transport
Bioassay Details
Fecal excretion of desmethyl derivative (nitrazepam) of compound in dog after 24-48 h of p.o. administration
Biological Species/NCBI dog ID Substance RN
759813View in Reaxys
Substance Route of Adm.
oral administration
Measurement Parameter
%
Unit
%
Qualitative value
=
Quantitative value
21
Yanagi; Haga; Endo; Kitagawa; Xenobiotica; vol. 6; nb. 2; (1976); p. 101 - 112, View in Reaxys 52 of 74
Bioassay Category
Metabolism/Transport
Bioassay Details
Fecal excretion of compound in dog after 24-48 h of p.o. administration
Biological Species/NCBI dog ID Substance RN
759813View in Reaxys
Substance Route of Adm.
oral administration
Measurement Parameter
%
Unit
%
Qualitative value
=
Quantitative value
34
Yanagi; Haga; Endo; Kitagawa; Xenobiotica; vol. 6; nb. 2; (1976); p. 101 - 112, View in Reaxys 53 of 74
Bioassay Category
Metabolism/Transport
Bioassay Details
Fecal excretion of compound in dog after 48-72 h of p.o. administration
Biological Species/NCBI dog ID Substance RN
759813View in Reaxys
Substance Route of Adm.
oral administration
Measurement Parameter
%
Unit
%
Qualitative value
=
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Quantitative value
6
Yanagi; Haga; Endo; Kitagawa; Xenobiotica; vol. 6; nb. 2; (1976); p. 101 - 112, View in Reaxys 54 of 74
Bioassay Category
Pharmacokinetic
Bioassay Details
Peak blood levels of compound in dog upon p.o. administration
Biological Species/NCBI dog ID Substance RN
759813View in Reaxys
Substance Route of Adm.
oral administration
Qualitative Results
7.7-7.9
Measurement Parameter
Cmax
Unit
µg/mL
Qualitative value
=
Quantitative value
7.9
Yanagi; Haga; Endo; Kitagawa; Xenobiotica; vol. 6; nb. 2; (1976); p. 101 - 112, View in Reaxys 55 of 74
Bioassay Category
In Vivo (Animal models)
Bioassay Details
Blood levels of the compound in dog after 4 h upon oral administration
Biological Species/NCBI dog ID Substance RN
759813View in Reaxys
Substance Route of Adm.
oral administration
Qualitative Results
Range = 5.2-6.3 mug equiv./mL
Measurement Parameter
Qualitative
Yanagi; Haga; Endo; Kitagawa; Xenobiotica; vol. 6; nb. 2; (1976); p. 101 - 112, View in Reaxys 56 of 74
Bioassay Category
Pharmacokinetic
Bioassay Details
Time to reach peak blood level of compound in dog after p.o. administration
Biological Species/NCBI dog ID Substance RN
759813View in Reaxys
Substance Route of Adm.
oral administration
Measurement Parameter
Tmax
Unit
hour
Qualitative value
=
Quantitative value
8
Yanagi; Haga; Endo; Kitagawa; Xenobiotica; vol. 6; nb. 2; (1976); p. 101 - 112, View in Reaxys 57 of 74
Bioassay Category
Metabolism/Transport
Bioassay Details
Urinary excretion of desmethyl derivative (nitrazepam) of compound in dog after 24 h of p.o. administration
Biological Species/NCBI dog ID Substance RN
759813View in Reaxys
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Substance Route of Adm.
oral administration
Measurement Parameter
Ue (%)
Unit
%
Qualitative value
=
Quantitative value
63
Yanagi; Haga; Endo; Kitagawa; Xenobiotica; vol. 6; nb. 2; (1976); p. 101 - 112, View in Reaxys 58 of 74
Bioassay Category
Metabolism/Transport
Bioassay Details
Urinary excretion of desmethyl derivative (nitrazepam) of compound in dog after 48-72 h of p.o. administration
Biological Species/NCBI dog ID Substance RN
759813View in Reaxys
Substance Route of Adm.
oral administration
Measurement Parameter
Ue (%)
Unit
%
Qualitative value
=
Quantitative value
2
Yanagi; Haga; Endo; Kitagawa; Xenobiotica; vol. 6; nb. 2; (1976); p. 101 - 112, View in Reaxys 59 of 74
Bioassay Category
Metabolism/Transport
Bioassay Details
Percent excretion of compound in faeces of dog after 48-72 h upon oral administration
Biological Species/NCBI dog ID Substance RN
759813View in Reaxys
Substance Route of Adm.
oral administration
Measurement Parameter
Excretion
Unit
%
Qualitative value
=
Quantitative value
6
Yanagi; Haga; Endo; Kitagawa; Xenobiotica; vol. 6; nb. 2; (1976); p. 101 - 112, View in Reaxys 60 of 74
Bioassay Category
Metabolism/Transport
Bioassay Details
Urinary excretion of compound in dog after 24 h of p.o. administration
Biological Species/NCBI dog ID Substance RN
759813View in Reaxys
Substance Route of Adm.
oral administration
Measurement Parameter
Ue (%)
Unit
%
Qualitative value
=
Quantitative value
46
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Yanagi; Haga; Endo; Kitagawa; Xenobiotica; vol. 6; nb. 2; (1976); p. 101 - 112, View in Reaxys 61 of 74
Bioassay Category
Metabolism/Transport
Bioassay Details
Urinary excretion of compound in dog after 48-72 h of p.o. administration
Biological Species/NCBI dog ID Substance RN
759813View in Reaxys
Substance Route of Adm.
oral administration
Measurement Parameter
Ue (%)
Unit
%
Qualitative value
=
Quantitative value
4
Yanagi; Haga; Endo; Kitagawa; Xenobiotica; vol. 6; nb. 2; (1976); p. 101 - 112, View in Reaxys 62 of 74
Bioassay Category
Metabolism/Transport
Bioassay Details
Percent excretion of compound in faeces of dog after 24-48 h upon oral administration
Biological Species/NCBI dog ID Substance RN
759813View in Reaxys
Substance Route of Adm.
oral administration
Measurement Parameter
Excretion
Unit
%
Qualitative value
=
Quantitative value
34
Yanagi; Haga; Endo; Kitagawa; Xenobiotica; vol. 6; nb. 2; (1976); p. 101 - 112, View in Reaxys 63 of 74
Bioassay Category
Metabolism/Transport
Bioassay Details
Percent excretion of compound in faeces of dog after 0-24 h upon oral administration
Biological Species/NCBI dog ID Substance RN
759813View in Reaxys
Substance Route of Adm.
oral administration
Measurement Parameter
Excretion
Unit
%
Qualitative value
=
Quantitative value
46
Yanagi; Haga; Endo; Kitagawa; Xenobiotica; vol. 6; nb. 2; (1976); p. 101 - 112, View in Reaxys 64 of 74
Bioassay Category
Metabolism/Transport
Bioassay Details
Percent excretion of compound in faeces of dog after 0-24 h upon oral administration
Biological Species/NCBI dog ID Substance RN
759813View in Reaxys
Substance Route of Adm.
oral administration
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Measurement Parameter
Excretion
Unit
%
Qualitative value
=
Quantitative value
52
Yanagi; Haga; Endo; Kitagawa; Xenobiotica; vol. 6; nb. 2; (1976); p. 101 - 112, View in Reaxys 65 of 74
Bioassay Category
Metabolism/Transport
Bioassay Details
Percent excretion of compound in urine of dog after 24-48 h upon oral administration
Biological Species/NCBI dog ID Substance RN
759813View in Reaxys
Substance Route of Adm.
oral administration
Measurement Parameter
Excretion
Unit
%
Qualitative value
=
Quantitative value
27
Yanagi; Haga; Endo; Kitagawa; Xenobiotica; vol. 6; nb. 2; (1976); p. 101 - 112, View in Reaxys 66 of 74
Bioassay Category
Metabolism/Transport
Bioassay Details
Urinary excretion of compound in dog after 24-48 h of p.o. administration
Biological Species/NCBI dog ID Substance RN
759813View in Reaxys
Substance Route of Adm.
oral administration
Measurement Parameter
Ue (%)
Unit
%
Qualitative value
=
Quantitative value
27
Yanagi; Haga; Endo; Kitagawa; Xenobiotica; vol. 6; nb. 2; (1976); p. 101 - 112, View in Reaxys 67 of 74
Bioassay Category
In Vitro (Efficacy)
Bioassay Details
Anticonvulsant activity of the compound; NC denotes that compound is not classified
Substance RN
759813View in Reaxys
Qualitative Results
NC
Measurement Parameter
Activity
Qualitative value
@
Bruno-Blanch; Galvez; Garcia-Domenech; Bioorganic and Medicinal Chemistry Letters; vol. 13; nb. 16; (2003); p. 2749 - 2754, View in Reaxys 68 of 74
Bioassay Category
In Vitro (Efficacy)
Bioassay Details
Tested for its effect on postnatal survival of Swiss-Webster mice offspring on dietary administration at subneurotoxic doses ; Reduced the survival of the offspring
Biological Species/NCBI Mus musculus ID Substance RN
759813View in Reaxys
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Measurement Parameter
Activity
Qualitative value
ND
William J. Houlihan; Gregory B. Bennett; Annual reports in medicinal chemistry; vol. 13; (1978); p. 21 - 30, View in Reaxys 69 of 74
Bioassay Category
In Vitro (Efficacy)
Bioassay Details
Tested for its activity in an anti-PTZ assay ; Effective
Substance RN
759813View in Reaxys
Measurement Parameter
Activity
Qualitative value
ND
Charles L. Zirkle; Carl Kaiser; Annual reports in medicinal chemistry; vol. 8; (1973); p. 1 - 10, View in Reaxys 70 of 74
Bioassay Category
In Vitro (Efficacy)
Bioassay Details
Tested for its ability to depress motor activity in inclined plane, fighting and rotarod tests in mice ; Effective
Biological Species/NCBI Mus musculus ID Substance RN
759813View in Reaxys
Measurement Parameter
Activity
Qualitative value
ND
Charles L. Zirkle; Carl Kaiser; Annual reports in medicinal chemistry; vol. 8; (1973); p. 1 - 10, View in Reaxys 71 of 74
Bioassay Category
In Vitro (Efficacy)
Bioassay Details
Compound was evaluated for muscle relaxant and anticonvulsant activity; potent
Substance RN
759813View in Reaxys
Measurement Parameter
Activity
Qualitative value
ND
A. D. Rudzik; W. Friis; Annual reports in medicinal chemistry; vol. 8; (1973); p. 29 - 36, View in Reaxys 72 of 74
Bioassay Category
In Vitro (Efficacy)
Bioassay Details
Compound was evaluated for antianxiety activity; Active
Substance RN
759813View in Reaxys
Measurement Parameter
Activity
Qualitative value
ND
A. D. Rudzik; W. Friis; Annual reports in medicinal chemistry; vol. 8; (1973); p. 29 - 36, View in Reaxys 73 of 74
Bioassay Category
In Vitro (Efficacy)
Bioassay Details
Compound was evaluated for hypnotic activity; Active
Substance RN
759813View in Reaxys
Measurement Parameter
Activity
Qualitative value
ND
A. D. Rudzik; W. Friis; Annual reports in medicinal chemistry; vol. 8; (1973); p. 29 - 36, View in Reaxys 74 of 74
Bioassay Category
In Vitro (Efficacy)
Bioassay Details
Tested for its activity in CAR test in rats ; Less active
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Biological Species/NCBI Rattus norvegicus ID Substance RN
759813View in Reaxys
Measurement Parameter
Activity
Qualitative value
ND
Charles L. Zirkle; Carl Kaiser; Annual reports in medicinal chemistry; vol. 8; (1973); p. 1 - 10, View in Reaxys
Reaxys ID 843754 View in Reaxys
O
2/3 CAS Registry Number: 40699-28-3 Chemical Name: 1-methyl-7-nitro-5-phenyl-1,3-dihydro-[5-14 C]benzo[e][1,4]diazepin-2-one; 1,3-Dihydro-1-methyl-7-nitro-5phenyl-2H-1,4-benzodiazepin-2-on-5-14C Linear Structure Formula: C15 (14)CH13N3O3 Molecular Formula: C16H13N3O3 Molecular Weight: 297.287 Type of Substance: heterocyclic InChI Key: GWUSZQUVEVMBPI-VPMSBSONSA-N Note:
N
N 14C
N
O
O
Substance Label (1) Label References I
Yoshitake et al.; Journal of Labelled Compounds; vol. 8; (1972); p. 615,619, View in Reaxys
Druglikeness (1) 1 of 1
LogP
2.188
H Bond Donors
0
H Bond Acceptors
3
Rotatable Bonds
2
TPSA
78.49
Lipinski Number
4
Veber Number
2
Melting Point (1) 1 of 1
Melting Point [°C]
157 - 158
Yoshitake et al.; Journal of Labelled Compounds; vol. 8; (1972); p. 615,619, View in Reaxys
Reaxys ID 6435459 View in Reaxys O
3/3 *H(1+)
Linear Structure Formula: C16H13N3O3 Molecular Formula: C16H13N3O3*H Molecular Weight: 296.305 Type of Substance: heterocyclic InChI Key: GWUSZQUVEVMBPI-UHFFFAOYSA-O Note:
N
N
N
O
H+
O
Substance Label (1) Label References 47*H+
Seiler; Zimmermann; Arzneimittel-Forschung/Drug Research; vol. 33; nb. 11; (1983); p. 1519 - 1522, View in Reaxys
Druglikeness (1)
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2017-08-01 03:16:16
1 of 1
LogP
2.188
H Bond Donors
0
H Bond Acceptors
3
Rotatable Bonds
2
TPSA
78.49
Lipinski Number
4
Veber Number
2
Dissociation Exponent (1) 1 of 1
Dissociation Exponent (pK)
2.63
Dissociation Group
N(1+)-H
Temperature (Dissociation Exponent) [°C]
25
Solvent (Dissociation Exponent)
H2O; ethanol
Method (Dissociation Exponent)
spectrophotometric
Type (Dissociation Exponent)
a1/apparent
Comment (Dissociation Exponent)
Ratio of solvents: 98:2
Seiler; Zimmermann; Arzneimittel-Forschung/Drug Research; vol. 33; nb. 11; (1983); p. 1519 - 1522, View in Reaxys Electrochemical Behaviour (1) Description (Elec- References trochemical Behaviour) Electrolytic dissociation / protonation equilibrium
Seiler; Zimmermann; Arzneimittel-Forschung/Drug Research; vol. 33; nb. 11; (1983); p. 1519 - 1522, View in Reaxys
Copyright © 2017 Reed Elsevier Properties SA. All rights reserved. Authorized use only. Reaxys® and the Reaxys® trademark are owned and protected by Reed Elsevier Properties SA and used under license.
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