Query Query S
Results
Date
6 substances in Reaxys
2017-08-07 00h:15m:43s (EST)
O
1. Query HN
Search as: As drawn
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Reaxys ID 8411503 View in Reaxys
S
1/6 Chemical Name: Tiletamine; tiletamine; 2-(ethylamino)-2-(2thienyl)cyclohexanone; 2-ethylamino-2-(2-thienyl)-cyclohexanone; 2-(ethylamino)-2-(2-thienyl)-cyclohexanone Linear Structure Formula: C12H17NOS Molecular Formula: C12H17NOS Molecular Weight: 223.339 Type of Substance: heterocyclic InChI Key: QAXBVGVYDCAVLV-UHFFFAOYSA-N Note:
O
HN
Substance Label (2) Label References A
Kumar, Atul; Mann, Henry J.; Remmel, Rory P.; Beilman, Greg J.; Kaila, Nitin; Xenobiotica; vol. 44; nb. 4; (2014); p. 379 - 390, View in Reaxys
4
Bel; Coulon; Sreng; Allaine; Bagneres; Clement; Journal of Chemical Ecology; vol. 25; nb. 10; (1999); p. 2267 - 2283, View in Reaxys
Patent-Specific Data (1) Location in Patent References Claim
Patent; Washington University; US5834465; (1998); (A1) English, View in Reaxys; Patent; Merck Frosst Canada and Co.; US6316434; (2001); (B1) English, View in Reaxys; Patent; Olney; John W.; US5474990; (1995); (A1) English, View in Reaxys; Patent; Williams, Robert O.; Zhang, Feng; US2003/82214; (2003); (A1) English, View in Reaxys; Patent; Ikonomidou, Hrissanthi; EP1002535; (2000); (A1) English, View in Reaxys; Patent; Great Lakes Chemical Corporation; US5969159; (1999); (A1) English, View in Reaxys; Patent; Great Lakes Chemical Corporation; US6147226; (2000); (A1) English, View in Reaxys; Patent; Olney; John W.; US5034400; (1991); (A1) English, View in Reaxys
Druglikeness (1) 1 of 1
LogP
1.745
H Bond Donors
1
H Bond Acceptors
2
Rotatable Bonds
3
TPSA
57.34
Lipinski Number
4
Veber Number
2
Crystal Property Description (1) Colour & Other References Properties yellow
Sato, Shohei; Takeda, Norihiko; Ueda, Masafumi; Miyata, Okiko; Synthesis (Germany); vol. 48; nb. 6; (2016); p. 882 - 892; Art.No: SS-2015-F0643-OP, View in Reaxys
NMR Spectroscopy (2) 1 of 2
Description (NMR Spec- Chemical shifts; Spectrum troscopy) Nucleus (NMR Spectroscopy)
1H
Solvents (NMR Spectro- chloroform-d1 scopy) Frequency (NMR Spectroscopy) [MHz]
300
Location
supporting information
Sato, Shohei; Takeda, Norihiko; Ueda, Masafumi; Miyata, Okiko; Synthesis (Germany); vol. 48; nb. 6; (2016); p. 882 - 892; Art.No: SS-2015-F0643-OP, View in Reaxys 2 of 2
Description (NMR Spec- Chemical shifts; Spectrum troscopy) Nucleus (NMR Spectroscopy)
13C
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Solvents (NMR Spectro- chloroform-d1 scopy) Frequency (NMR Spectroscopy) [MHz]
75
Location
supporting information
Sato, Shohei; Takeda, Norihiko; Ueda, Masafumi; Miyata, Okiko; Synthesis (Germany); vol. 48; nb. 6; (2016); p. 882 - 892; Art.No: SS-2015-F0643-OP, View in Reaxys IR Spectroscopy (1) 1 of 1
Description (IR Spectroscopy)
Bands
Solvent (IR Spectroscopy)
neat liquid
Sato, Shohei; Takeda, Norihiko; Ueda, Masafumi; Miyata, Okiko; Synthesis (Germany); vol. 48; nb. 6; (2016); p. 882 - 892; Art.No: SS-2015-F0643-OP, View in Reaxys Mass Spectrometry (2) Description (Mass References Spectrometry) high resolution mass spectrometry (HRMS); electrospray ionisation (ESI); spectrum
Sato, Shohei; Takeda, Norihiko; Ueda, Masafumi; Miyata, Okiko; Synthesis (Germany); vol. 48; nb. 6; (2016); p. 882 - 892; Art.No: SS-2015-F0643-OP, View in Reaxys
gas chromatogra- Kumar, Atul; Mann, Henry J.; Remmel, Rory P.; Beilman, Greg J.; Kaila, Nitin; Xenobiotica; vol. 44; nb. phy mass spec4; (2014); p. 379 - 390, View in Reaxys trometry (GCMS); spectrum Use (9) Use Pattern
Location
References
Pharmaceuticals
Page/Page column title page; 235; 236
Patent; Drexel University; AJIT, Seena; SACAN, Ahmet; ALEXANDER, Guillermo; SCHWARTZMAN, Robert J.; MCDONALD, Marguerite; (278 pag.); US2016/76098; (2016); (A1) English, View in Reaxys
diagnosing complex regional pain syndrome
Page/Page column title page; 235; 236
Patent; Drexel University; AJIT, Seena; SACAN, Ahmet; ALEXANDER, Guillermo; SCHWARTZMAN, Robert J.; MCDONALD, Marguerite; (278 pag.); US2016/76098; (2016); (A1) English, View in Reaxys
diagnosing neuro- Page/Page colpathic pain umn title page; 235; 236
Patent; Drexel University; AJIT, Seena; SACAN, Ahmet; ALEXANDER, Guillermo; SCHWARTZMAN, Robert J.; MCDONALD, Marguerite; (278 pag.); US2016/76098; (2016); (A1) English, View in Reaxys
diagnosing neuro- Page/Page colpathic pain by umn title page; comparing the 235; 236 level of at least one microRNA in the biological sample with the level of at least one miRNA or in a comparator
Patent; Drexel University; AJIT, Seena; SACAN, Ahmet; ALEXANDER, Guillermo; SCHWARTZMAN, Robert J.; MCDONALD, Marguerite; (278 pag.); US2016/76098; (2016); (A1) English, View in Reaxys
diagnosing neuro- Page/Page colpathic pain by de- umn title page; termining the lev- 235; 236 el of at least one microRNA in a biological sample
Patent; Drexel University; AJIT, Seena; SACAN, Ahmet; ALEXANDER, Guillermo; SCHWARTZMAN, Robert J.; MCDONALD, Marguerite; (278 pag.); US2016/76098; (2016); (A1) English, View in Reaxys
diagnosis of inflammation
Patent; Drexel University; AJIT, Seena; SACAN, Ahmet; ALEXANDER, Guillermo; SCHWARTZMAN, Robert J.; MCDONALD, Marguerite; (278 pag.); US2016/76098; (2016); (A1) English, View in Reaxys
Page/Page column title page; 235; 236
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diagnosis of pain
Page/Page column title page; 235; 236
Patent; Drexel University; AJIT, Seena; SACAN, Ahmet; ALEXANDER, Guillermo; SCHWARTZMAN, Robert J.; MCDONALD, Marguerite; (278 pag.); US2016/76098; (2016); (A1) English, View in Reaxys
predicting the re- Page/Page colsponsiveness of a umn title page; treatment for neu- 235; 236 ropathic pain
Patent; Drexel University; AJIT, Seena; SACAN, Ahmet; ALEXANDER, Guillermo; SCHWARTZMAN, Robert J.; MCDONALD, Marguerite; (278 pag.); US2016/76098; (2016); (A1) English, View in Reaxys
anesthetic
Patent; Brown, Milton L.; Schenk, Hilary A.; US2007/43121; (2007); (A1) English, View in Reaxys
Page/Page column 4
Isolation from Natural Product (1) Isolation from References Natural Product secretion exudate Bel; Coulon; Sreng; Allaine; Bagneres; Clement; Journal of Chemical Ecology; vol. 25; nb. 10; (1999); p. of the temporal 2267 - 2283, View in Reaxys gland of Alpine marmots, Marmota marmota (0) Medchem (43) 1 of 43
Target Mutant/Chimera Details
Ionotropic glutamate NMDA receptor [Rattus norvegicus]:Wild
Target Species (Bioactivity)
Rattus norvegicus
Target Subunit Proteins
Ionotropic glutamate NMDA receptor [Rattus norvegicus]
Target Transfection
Non Transfected
Bioassay Category
In Vitro (Efficacy)
Bioassay Name
Binding
Biological Species/NCBI Sprague Dawley rat ID Organs/Tissues
forebrain
Cell Fraction
Membrane
Substance RN
8411503View in Reaxys
Substance Name
Tiletamine
Measurement Parameter
IC50
Unit
nM
Quantitative value
360
Deviation
68
Measurement pX
6.44
Target, Subunit, Species Ionotropic glutamate NMDA receptor [Rattus norvegicus] 2 of 43
Target Mutant/Chimera Details
Ionotropic glutamate NMDA receptor [Rattus norvegicus]:Wild
Target Species (Bioactivity)
Rattus norvegicus
Target Subunit Proteins
Ionotropic glutamate NMDA receptor [Rattus norvegicus]
Target Transfection
Non Transfected
Bioassay Category
In Vitro (Efficacy)
Bioassay Name
Binding
Biological Species/NCBI Sprague Dawley rat ID Organs/Tissues
forebrain
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Cell Fraction
Membrane
Substance RN
8411503View in Reaxys
Substance Name
Tiletamine
Measurement Parameter
IC50
Unit
nM
Quantitative value
36000
Deviation
13000
Measurement pX
4.44
Target, Subunit, Species Ionotropic glutamate NMDA receptor [Rattus norvegicus] 3 of 43
Target Mutant/Chimera Details
Ionotropic glutamate NMDA receptor [Rattus norvegicus]:Wild
Target Species (Bioactivity)
Rattus norvegicus
Target Subunit Proteins
Ionotropic glutamate NMDA receptor [Rattus norvegicus]
Target Transfection
Non Transfected
Bioassay Category
In Vitro (Efficacy)
Bioassay Name
Binding
Biological Species/NCBI Sprague Dawley rat ID Organs/Tissues
forebrain
Cell Fraction
Membrane
Substance RN
8411503View in Reaxys
Substance Name
Tiletamine
Measurement Parameter
%
Unit
%
Quantitative value
61
Deviation
4
Target, Subunit, Species Ionotropic glutamate NMDA receptor [Rattus norvegicus] 4 of 43
Target Mutant/Chimera Details
Ionotropic glutamate NMDA receptor [Rattus norvegicus]:Wild
Target Species (Bioactivity)
Rattus norvegicus
Target Subunit Proteins
Ionotropic glutamate NMDA receptor [Rattus norvegicus]
Target Transfection
Non Transfected
Bioassay Category
In Vitro (Efficacy)
Bioassay Name
Binding
Biological Species/NCBI Sprague Dawley rat ID Organs/Tissues
forebrain
Cell Fraction
Membrane
Substance RN
8411503View in Reaxys
Substance Name
Tiletamine
Measurement Parameter
%
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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Unit
%
Quantitative value
39
Deviation
4
Target, Subunit, Species Ionotropic glutamate NMDA receptor [Rattus norvegicus] 5 of 43
Target Mutant/Chimera Details
Ionotropic glutamate NMDA receptor [Rattus norvegicus]:Wild
Target Species (Bioactivity)
Rattus norvegicus
Target Subunit Proteins
Ionotropic glutamate NMDA receptor [Rattus norvegicus]
Target Transfection
Non Transfected
Bioassay Category
In Vitro (Efficacy)
Bioassay Name
Binding
Biological Species/NCBI Sprague Dawley rat ID Organs/Tissues
forebrain
Cell Fraction
Membrane
Substance RN
8411503View in Reaxys
Substance Name
Tiletamine
Measurement Parameter
nH
Quantitative value
0.51
Deviation
0.0300000
Target, Subunit, Species Ionotropic glutamate NMDA receptor [Rattus norvegicus] 6 of 43
Target Mutant/Chimera Details
Ionotropic glutamate NMDA receptor [Rattus norvegicus]:Wild
Target Species (Bioactivity)
Rattus norvegicus
Target Subunit Proteins
Ionotropic glutamate NMDA receptor [Rattus norvegicus]
Target Transfection
Non Transfected
Bioassay Category
In Vitro (Efficacy)
Bioassay Name
Binding
Biological Species/NCBI Sprague Dawley rat ID Organs/Tissues
forebrain
Cell Fraction
Membrane
Substance RN
8411503View in Reaxys
Substance Name
Tiletamine
Measurement Parameter
IC50
Unit
nM
Quantitative value
16
Deviation
6
Measurement pX
7.8
Target, Subunit, Species Ionotropic glutamate NMDA receptor [Rattus norvegicus] 7 of 43
Target Mutant/Chimera Details
Ionotropic glutamate NMDA receptor [Rattus norvegicus]:Wild
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Target Species (Bioactivity)
Rattus norvegicus
Target Subunit Proteins
Ionotropic glutamate NMDA receptor [Rattus norvegicus]
Target Transfection
Non Transfected
Bioassay Category
In Vitro (Efficacy)
Bioassay Name
Binding
Biological Species/NCBI Sprague Dawley rat ID Organs/Tissues
forebrain
Cell Fraction
Membrane
Substance RN
8411503View in Reaxys
Substance Name
Tiletamine
Measurement Parameter
IC50
Unit
nM
Quantitative value
1000
Deviation
250
Measurement pX
6
Target, Subunit, Species Ionotropic glutamate NMDA receptor [Rattus norvegicus] 8 of 43
Target Mutant/Chimera Details
Ionotropic glutamate NMDA receptor [Rattus norvegicus]:Wild
Target Species (Bioactivity)
Rattus norvegicus
Target Subunit Proteins
Ionotropic glutamate NMDA receptor [Rattus norvegicus]
Target Transfection
Non Transfected
Bioassay Category
In Vitro (Efficacy)
Bioassay Name
Binding
Biological Species/NCBI Sprague Dawley rat ID Organs/Tissues
forebrain
Cell Fraction
Membrane
Substance RN
8411503View in Reaxys
Substance Name
Tiletamine
Measurement Parameter
%
Unit
%
Quantitative value
35
Deviation
4
Target, Subunit, Species Ionotropic glutamate NMDA receptor [Rattus norvegicus] 9 of 43
Target Mutant/Chimera Details
Ionotropic glutamate NMDA receptor [Rattus norvegicus]:Wild
Target Species (Bioactivity)
Rattus norvegicus
Target Subunit Proteins
Ionotropic glutamate NMDA receptor [Rattus norvegicus]
Target Transfection
Non Transfected
Bioassay Category
In Vitro (Efficacy)
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Bioassay Name
Binding
Biological Species/NCBI Sprague Dawley rat ID Organs/Tissues
forebrain
Cell Fraction
Membrane
Substance RN
8411503View in Reaxys
Substance Name
Tiletamine
Measurement Parameter
%
Unit
%
Quantitative value
65
Deviation
4
Target, Subunit, Species Ionotropic glutamate NMDA receptor [Rattus norvegicus] 10 of 43
Target Mutant/Chimera Details
Ionotropic glutamate NMDA receptor [Rattus norvegicus]:Wild
Target Species (Bioactivity)
Rattus norvegicus
Target Subunit Proteins
Ionotropic glutamate NMDA receptor [Rattus norvegicus]
Target Transfection
Non Transfected
Bioassay Category
In Vitro (Efficacy)
Bioassay Name
Binding
Biological Species/NCBI Sprague Dawley rat ID Organs/Tissues
forebrain
Cell Fraction
Membrane
Substance RN
8411503View in Reaxys
Substance Name
Tiletamine
Measurement Parameter
nH
Quantitative value
0.55
Deviation
0.0200000
Target, Subunit, Species Ionotropic glutamate NMDA receptor [Rattus norvegicus] 11 of 43
Target Mutant/Chimera Details
Ionotropic glutamate NMDA receptor [Rattus norvegicus]:Wild
Target Species (Bioactivity)
Rattus norvegicus
Target Subunit Proteins
Ionotropic glutamate NMDA receptor [Rattus norvegicus]
Target Transfection
Non Transfected
Bioassay Category
In Vitro (Efficacy)
Bioassay Name
Binding
Biological Species/NCBI Sprague Dawley rat ID Organs/Tissues
forebrain
Cell Fraction
Membrane
Substance RN
8411503View in Reaxys
Substance Name
Tiletamine
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Measurement Parameter
IC50
Unit
nM
Quantitative value
91
Deviation
4
Measurement pX
7.04
Target, Subunit, Species Ionotropic glutamate NMDA receptor [Rattus norvegicus] 12 of 43
Target Mutant/Chimera Details
Ionotropic glutamate NMDA receptor [Rattus norvegicus]:Wild
Target Species (Bioactivity)
Rattus norvegicus
Target Subunit Proteins
Ionotropic glutamate NMDA receptor [Rattus norvegicus]
Target Transfection
Non Transfected
Bioassay Category
In Vitro (Efficacy)
Bioassay Name
Binding
Biological Species/NCBI Sprague Dawley rat ID Organs/Tissues
forebrain
Cell Fraction
Membrane
Substance RN
8411503View in Reaxys
Substance Name
Tiletamine
Measurement Parameter
IC50
Unit
nM
Quantitative value
21000
Deviation
6200
Measurement pX
4.68
Target, Subunit, Species Ionotropic glutamate NMDA receptor [Rattus norvegicus] 13 of 43
Target Mutant/Chimera Details
Ionotropic glutamate NMDA receptor [Rattus norvegicus]:Wild
Target Species (Bioactivity)
Rattus norvegicus
Target Subunit Proteins
Ionotropic glutamate NMDA receptor [Rattus norvegicus]
Target Transfection
Non Transfected
Bioassay Category
In Vitro (Efficacy)
Bioassay Name
Binding
Biological Species/NCBI Sprague Dawley rat ID Organs/Tissues
forebrain
Cell Fraction
Membrane
Substance RN
8411503View in Reaxys
Substance Name
Tiletamine
Measurement Parameter
%
Unit
%
Quantitative value
88
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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Deviation
1
Target, Subunit, Species Ionotropic glutamate NMDA receptor [Rattus norvegicus] 14 of 43
Target Mutant/Chimera Details
Ionotropic glutamate NMDA receptor [Rattus norvegicus]:Wild
Target Species (Bioactivity)
Rattus norvegicus
Target Subunit Proteins
Ionotropic glutamate NMDA receptor [Rattus norvegicus]
Target Transfection
Non Transfected
Bioassay Category
In Vitro (Efficacy)
Bioassay Name
Binding
Biological Species/NCBI Sprague Dawley rat ID Organs/Tissues
forebrain
Cell Fraction
Membrane
Substance RN
8411503View in Reaxys
Substance Name
Tiletamine
Measurement Parameter
%
Unit
%
Quantitative value
9
Deviation
1
Target, Subunit, Species Ionotropic glutamate NMDA receptor [Rattus norvegicus] 15 of 43
Target Mutant/Chimera Details
Ionotropic glutamate NMDA receptor [Rattus norvegicus]:Wild
Target Species (Bioactivity)
Rattus norvegicus
Target Subunit Proteins
Ionotropic glutamate NMDA receptor [Rattus norvegicus]
Target Transfection
Non Transfected
Bioassay Category
In Vitro (Efficacy)
Bioassay Name
Binding
Biological Species/NCBI Sprague Dawley rat ID Organs/Tissues
forebrain
Cell Fraction
Membrane
Substance RN
8411503View in Reaxys
Substance Name
Tiletamine
Measurement Parameter
nH
Quantitative value
0.77
Deviation
0.0100000
Target, Subunit, Species Ionotropic glutamate NMDA receptor [Rattus norvegicus] 16 of 43
Target Mutant/Chimera Details
Ionotropic glutamate NMDA receptor [Rattus norvegicus]:Wild
Target Species (Bioactivity)
Rattus norvegicus
Target Subunit Proteins
Ionotropic glutamate NMDA receptor [Rattus norvegicus]
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Target Transfection
Non Transfected
Bioassay Category
In Vitro (Efficacy)
Bioassay Name
Binding
Biological Species/NCBI Sprague Dawley rat ID Organs/Tissues
forebrain
Cell Fraction
Membrane
Substance RN
8411503View in Reaxys
Substance Name
Tiletamine
Measurement Parameter
IC50
Unit
nM
Quantitative value
120
Deviation
8
Measurement pX
6.92
Target, Subunit, Species Ionotropic glutamate NMDA receptor [Rattus norvegicus] 17 of 43
Target Mutant/Chimera Details
Ionotropic glutamate NMDA receptor [Rattus norvegicus]:Wild
Target Species (Bioactivity)
Rattus norvegicus
Target Subunit Proteins
Ionotropic glutamate NMDA receptor [Rattus norvegicus]
Target Transfection
Non Transfected
Bioassay Category
In Vitro (Efficacy)
Bioassay Name
Binding
Biological Species/NCBI Sprague Dawley rat ID Organs/Tissues
forebrain
Cell Fraction
Membrane
Substance RN
8411503View in Reaxys
Substance Name
Tiletamine
Measurement Parameter
IC50
Unit
nM
Quantitative value
14000
Deviation
9500
Measurement pX
4.85
Target, Subunit, Species Ionotropic glutamate NMDA receptor [Rattus norvegicus] 18 of 43
Target Mutant/Chimera Details
Ionotropic glutamate NMDA receptor [Rattus norvegicus]:Wild
Target Species (Bioactivity)
Rattus norvegicus
Target Subunit Proteins
Ionotropic glutamate NMDA receptor [Rattus norvegicus]
Target Transfection
Non Transfected
Bioassay Category
In Vitro (Efficacy)
Bioassay Name
Binding
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Biological Species/NCBI Sprague Dawley rat ID Organs/Tissues
forebrain
Cell Fraction
Membrane
Substance RN
8411503View in Reaxys
Substance Name
Tiletamine
Measurement Parameter
%
Unit
%
Quantitative value
92
Deviation
3
Target, Subunit, Species Ionotropic glutamate NMDA receptor [Rattus norvegicus] 19 of 43
Target Mutant/Chimera Details
Ionotropic glutamate NMDA receptor [Rattus norvegicus]:Wild
Target Species (Bioactivity)
Rattus norvegicus
Target Subunit Proteins
Ionotropic glutamate NMDA receptor [Rattus norvegicus]
Target Transfection
Non Transfected
Bioassay Category
In Vitro (Efficacy)
Bioassay Name
Binding
Biological Species/NCBI Rattus norvegicus ID Organs/Tissues
Brain
Cell Fraction
Synaptosome: membrane (P2 fraction)
Substance RN
8411503View in Reaxys
Substance Name
Tiletamine
Substance Dose
100 µM
Measurement Parameter
% Inhibition
Unit
%
Quantitative value
3
Deviation
15
Measurement pX
1
Target, Subunit, Species Ionotropic glutamate NMDA receptor [Rattus norvegicus] 20 of 43
Target Mutant/Chimera Details
Glutamate receptor ionotropic, NMDA 2D:Wild
Substance Action on Target
Blocker
Target Subunit Proteins
Glutamate receptor ionotropic, NMDA 2D
Bioassay Category
In Vitro (Efficacy)
Bioassay Details
Blocking activity of the compound against NMDA receptor was determined
Substance RN
8411503View in Reaxys
Measurement Parameter
Qualitative
Qualitative value
Not Published
Target, Subunit, Species Glutamate receptor ionotropic, NMDA 2D
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Patent; Ikonomidou, Hrissanthi; EP1002535; (2000); (A1) English, View in Reaxys 21 of 43
Target Mutant/Chimera Details
Glutamate receptor ionotropic, NMDA 2D [chicken]:Wild
Target Species (Bioactivity)
chicken
Target Subunit Proteins
Glutamate receptor ionotropic, NMDA 2D [chicken]
Bioassay Category
In Vitro (Efficacy)
Bioassay Details
Minimum concentration required to provide total protection against neurotoxic effect of NMDA in chick embryo retinal tissue mediated against NMDA receptor PCP binding site
Biological Species/NCBI chicken ID Substance RN
8411503View in Reaxys
Measurement Parameter
Activity
Unit
µM
Qualitative value
=
Quantitative value
5
Target, Subunit, Species Glutamate receptor ionotropic, NMDA 2D [chicken] 22 of 43
Bioassay Category
Pharmacokinetic
Bioassay Name
Pharmacokinetic
Biological Species/NCBI Yorkshire pig ID Substance RN
8411503View in Reaxys
Substance Name
Tiletamine - A-p. 383; figure 2A, figure 8
Substance Dose
3 mg/kg
Substance Route of Adm.
intramuscular administration
Substance Dosing Regi- Single men Measurement Parameter
Cl/F
Unit
L/h/kg
Quantitative value
6.63
Kumar, Atul; Mann, Henry J.; Remmel, Rory P.; Beilman, Greg J.; Kaila, Nitin; Xenobiotica; vol. 44; nb. 4; (2014); p. 379 - 390, View in Reaxys 23 of 43
Bioassay Category
Pharmacokinetic
Bioassay Name
Pharmacokinetic
Biological Species/NCBI Yorkshire pig ID Substance RN
8411503View in Reaxys
Substance Name
Tiletamine - A-p. 383; figure 2A, figure 8
Substance Dose
3 mg/kg
Substance Route of Adm.
intramuscular administration
Substance Dosing Regi- Single men Measurement Parameter
Vc/F
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Unit
L/kg
Quantitative value
9.16
Kumar, Atul; Mann, Henry J.; Remmel, Rory P.; Beilman, Greg J.; Kaila, Nitin; Xenobiotica; vol. 44; nb. 4; (2014); p. 379 - 390, View in Reaxys 24 of 43
Bioassay Category
Pharmacokinetic
Bioassay Name
Pharmacokinetic
Biological Species/NCBI Yorkshire pig ID Substance RN
8411503View in Reaxys
Substance Name
Tiletamine - A-p. 383; figure 2A, figure 8
Substance Dose
3 mg/kg
Substance Route of Adm.
intramuscular administration
Substance Dosing Regi- Single men Measurement Parameter
kabs
Unit
h-1
Quantitative value
29.6
Kumar, Atul; Mann, Henry J.; Remmel, Rory P.; Beilman, Greg J.; Kaila, Nitin; Xenobiotica; vol. 44; nb. 4; (2014); p. 379 - 390, View in Reaxys 25 of 43
Bioassay Category
Pharmacokinetic
Bioassay Name
Pharmacokinetic
Biological Species/NCBI Yorkshire pig ID Substance RN
8411503View in Reaxys
Substance Name
Tiletamine - A-p. 383; figure 2A, figure 8
Substance Dose
3 mg/kg
Substance Route of Adm.
intramuscular administration
Substance Dosing Regi- Single men Measurement Parameter
t1/2 el
Unit
hour
Quantitative value
1.97
Kumar, Atul; Mann, Henry J.; Remmel, Rory P.; Beilman, Greg J.; Kaila, Nitin; Xenobiotica; vol. 44; nb. 4; (2014); p. 379 - 390, View in Reaxys 26 of 43
Bioassay Category
Pharmacokinetic
Bioassay Name
Pharmacokinetic
Biological Species/NCBI Yorkshire pig ID Substance RN
8411503View in Reaxys
Substance Name
Tiletamine - A-p. 383; figure 2A, figure 8
Substance Dose
3 mg/kg
Substance Route of Adm.
intramuscular administration
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Substance Dosing Regi- Single men Measurement Parameter
Vp/F
Unit
L/kg
Quantitative value
1.46
Kumar, Atul; Mann, Henry J.; Remmel, Rory P.; Beilman, Greg J.; Kaila, Nitin; Xenobiotica; vol. 44; nb. 4; (2014); p. 379 - 390, View in Reaxys 27 of 43
Bioassay Category
Pharmacokinetic
Bioassay Name
Pharmacokinetic
Biological Species/NCBI Yorkshire pig ID Substance RN
8411503View in Reaxys
Substance Name
Tiletamine - A-p. 383; figure 2A, figure 8
Substance Dose
3 mg/kg
Substance Route of Adm.
intramuscular administration
Substance Dosing Regi- Single men Measurement Parameter
Clc/F
Unit
L/h/kg
Quantitative value
4.72
Kumar, Atul; Mann, Henry J.; Remmel, Rory P.; Beilman, Greg J.; Kaila, Nitin; Xenobiotica; vol. 44; nb. 4; (2014); p. 379 - 390, View in Reaxys 28 of 43
Bioassay Category
Metabolism/Transport
Bioassay Name
Enzymology substrate
Biological Species/NCBI Yorkshire pig ID Population State
Healthy
Organs/Tissues
liver
Cell Fraction
Microsome (pooled)
Substance RN
8411503View in Reaxys
Substance Name
Tiletamine - A-p. 383; figure 2A, figure 8
Substance Dose
2 µM
Measurement Parameter
Vmax
Unit
nmol/min/mg protein
Quantitative value
2.2
Deviation
0.400000
Kumar, Atul; Mann, Henry J.; Remmel, Rory P.; Beilman, Greg J.; Kaila, Nitin; Xenobiotica; vol. 44; nb. 4; (2014); p. 379 - 390, View in Reaxys 29 of 43
Bioassay Category
Metabolism/Transport
Bioassay Name
Enzymology substrate
Biological Species/NCBI Yorkshire pig ID Population State
Healthy
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Organs/Tissues
liver
Cell Fraction
Microsome (pooled)
Substance RN
8411503View in Reaxys
Substance Name
Tiletamine - A-p. 383; figure 2A, figure 8
Substance Dose
2 µM
Measurement Parameter
Vmax
Unit
nmol/min/mg protein
Quantitative value
14.7
Deviation
0.650000
Kumar, Atul; Mann, Henry J.; Remmel, Rory P.; Beilman, Greg J.; Kaila, Nitin; Xenobiotica; vol. 44; nb. 4; (2014); p. 379 - 390, View in Reaxys 30 of 43
Bioassay Category
Metabolism/Transport
Bioassay Name
Enzymology substrate
Biological Species/NCBI Yorkshire pig ID Population State
Healthy
Organs/Tissues
liver
Cell Fraction
Microsome (pooled)
Substance RN
8411503View in Reaxys
Substance Name
Tiletamine - A-p. 383; figure 2A, figure 8
Substance Dose
2 µM
Measurement Parameter
Km
Unit
µM
Quantitative value
77.9
Deviation
11.9000
Measurement pX
4.11
Kumar, Atul; Mann, Henry J.; Remmel, Rory P.; Beilman, Greg J.; Kaila, Nitin; Xenobiotica; vol. 44; nb. 4; (2014); p. 379 - 390, View in Reaxys 31 of 43
Bioassay Category
Metabolism/Transport
Bioassay Name
Enzymology substrate
Biological Species/NCBI Yorkshire pig ID Population State
Healthy
Organs/Tissues
liver
Cell Fraction
Microsome (pooled)
Substance RN
8411503View in Reaxys
Substance Name
Tiletamine - A-p. 383; figure 2A, figure 8
Substance Dose
2 µM
Measurement Parameter
Km
Unit
µM
Quantitative value
1474
Deviation
238
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Measurement pX
2.83
Kumar, Atul; Mann, Henry J.; Remmel, Rory P.; Beilman, Greg J.; Kaila, Nitin; Xenobiotica; vol. 44; nb. 4; (2014); p. 379 - 390, View in Reaxys 32 of 43
Bioassay Category
Metabolism/Transport
Bioassay Name
Enzymology substrate
Biological Species/NCBI Yorkshire pig ID Population State
Healthy
Organs/Tissues
liver
Cell Fraction
Microsome (pooled)
Substance RN
8411503View in Reaxys
Substance Name
Tiletamine - A-p. 383; figure 2A, figure 8
Substance Dose
2 µM
Measurement Parameter
Clint
Unit
µL/min/mg protein
Quantitative value
28.2
Kumar, Atul; Mann, Henry J.; Remmel, Rory P.; Beilman, Greg J.; Kaila, Nitin; Xenobiotica; vol. 44; nb. 4; (2014); p. 379 - 390, View in Reaxys 33 of 43
Bioassay Category
Metabolism/Transport
Bioassay Name
Enzymology substrate
Biological Species/NCBI Yorkshire pig ID Population State
Healthy
Organs/Tissues
liver
Cell Fraction
Microsome (pooled)
Substance RN
8411503View in Reaxys
Substance Name
Tiletamine - A-p. 383; figure 2A, figure 8
Substance Dose
2 µM
Measurement Parameter
Clint
Unit
µL/min/mg protein
Quantitative value
9.99
Kumar, Atul; Mann, Henry J.; Remmel, Rory P.; Beilman, Greg J.; Kaila, Nitin; Xenobiotica; vol. 44; nb. 4; (2014); p. 379 - 390, View in Reaxys 34 of 43
Bioassay Category
Metabolism/Transport
Bioassay Name
Enzymology substrate
Biological Species/NCBI Human ID Organs/Tissues
Liver
Cell Fraction
Microsome (pooled)
Substance RN
8411503View in Reaxys
Substance Name
Tiletamine - A-p. 383; figure 2A, figure 8
Substance Dose
2 µM
Measurement Parameter
Vmax
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Unit
nmol/min/mg protein
Quantitative value
0.32
Deviation
0.0300000
Kumar, Atul; Mann, Henry J.; Remmel, Rory P.; Beilman, Greg J.; Kaila, Nitin; Xenobiotica; vol. 44; nb. 4; (2014); p. 379 - 390, View in Reaxys 35 of 43
Bioassay Category
Metabolism/Transport
Bioassay Name
Enzymology substrate
Biological Species/NCBI Human ID Organs/Tissues
Liver
Cell Fraction
Microsome (pooled)
Substance RN
8411503View in Reaxys
Substance Name
Tiletamine - A-p. 383; figure 2A, figure 8
Substance Dose
2 µM
Measurement Parameter
Vmax
Unit
nmol/min/mg protein
Quantitative value
4.85
Deviation
0.490000
Kumar, Atul; Mann, Henry J.; Remmel, Rory P.; Beilman, Greg J.; Kaila, Nitin; Xenobiotica; vol. 44; nb. 4; (2014); p. 379 - 390, View in Reaxys 36 of 43
Bioassay Category
Metabolism/Transport
Bioassay Name
Enzymology substrate
Biological Species/NCBI Human ID Organs/Tissues
Liver
Cell Fraction
Microsome (pooled)
Substance RN
8411503View in Reaxys
Substance Name
Tiletamine - A-p. 383; figure 2A, figure 8
Substance Dose
2 µM
Measurement Parameter
Km
Unit
µM
Quantitative value
23.5
Deviation
2.74000
Measurement pX
4.63
Kumar, Atul; Mann, Henry J.; Remmel, Rory P.; Beilman, Greg J.; Kaila, Nitin; Xenobiotica; vol. 44; nb. 4; (2014); p. 379 - 390, View in Reaxys 37 of 43
Bioassay Category
Metabolism/Transport
Bioassay Name
Enzymology substrate
Biological Species/NCBI Human ID Organs/Tissues
Liver
Cell Fraction
Microsome (pooled)
Substance RN
8411503View in Reaxys
Substance Name
Tiletamine - A-p. 383; figure 2A, figure 8
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Substance Dose
2 µM
Measurement Parameter
Km
Unit
µM
Quantitative value
2948
Deviation
522
Measurement pX
2.53
Kumar, Atul; Mann, Henry J.; Remmel, Rory P.; Beilman, Greg J.; Kaila, Nitin; Xenobiotica; vol. 44; nb. 4; (2014); p. 379 - 390, View in Reaxys 38 of 43
Bioassay Category
Metabolism/Transport
Bioassay Name
Enzymology substrate
Biological Species/NCBI Human ID Organs/Tissues
Liver
Cell Fraction
Microsome (pooled)
Substance RN
8411503View in Reaxys
Substance Name
Tiletamine - A-p. 383; figure 2A, figure 8
Substance Dose
2 µM
Measurement Parameter
Clint
Unit
µL/min/mg protein
Quantitative value
13.6
Kumar, Atul; Mann, Henry J.; Remmel, Rory P.; Beilman, Greg J.; Kaila, Nitin; Xenobiotica; vol. 44; nb. 4; (2014); p. 379 - 390, View in Reaxys 39 of 43
Bioassay Category
Metabolism/Transport
Bioassay Name
Enzymology substrate
Biological Species/NCBI Human ID Organs/Tissues
Liver
Cell Fraction
Microsome (pooled)
Substance RN
8411503View in Reaxys
Substance Name
Tiletamine - A-p. 383; figure 2A, figure 8
Substance Dose
2 µM
Measurement Parameter
Clint
Unit
µL/min/mg protein
Quantitative value
1.65
Kumar, Atul; Mann, Henry J.; Remmel, Rory P.; Beilman, Greg J.; Kaila, Nitin; Xenobiotica; vol. 44; nb. 4; (2014); p. 379 - 390, View in Reaxys 40 of 43
Bioassay Category
Metabolism/Transport
Bioassay Name
Enzymology substrate
Biological Species/NCBI Yorkshire pig ID Population State
Healthy
Organs/Tissues
liver
Cell Fraction
Microsome (pooled)
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Substance RN
8411503View in Reaxys
Substance Name
Tiletamine - A-p. 383; figure 2A, figure 8
Substance Dose
1 µM
Measurement Parameter
t1/2
Unit
minute
Quantitative value
18.8
Kumar, Atul; Mann, Henry J.; Remmel, Rory P.; Beilman, Greg J.; Kaila, Nitin; Xenobiotica; vol. 44; nb. 4; (2014); p. 379 - 390, View in Reaxys 41 of 43
Target Mutant/Chimera Details
Ionotropic glutamate NMDA receptor [Rattus norvegicus]:Wild
Substance Action on Target
Inhibitor
Target Species (Bioactivity)
Rattus norvegicus
Target Subunit Proteins
Ionotropic glutamate NMDA receptor [Rattus norvegicus]
Substance Effect
inhibitory activity
Bioassay Category
In Vitro (Efficacy)
Bioassay Details
Inhibitory concentration of the compound against rat NMDA receptor
Substance RN
8411503View in Reaxys
Measurement Parameter
IC50
Unit
µM
Qualitative value
<
Quantitative value
300
Measurement pX
3.52
Target, Subunit, Species Ionotropic glutamate NMDA receptor [Rattus norvegicus] 42 of 43
Target Mutant/Chimera Details
Ionotropic glutamate NMDA receptor [Mus musculus]:Wild
Substance Action on Target
Inhibitor
Target Species (Bioactivity)
Mus musculus
Target Subunit Proteins
Ionotropic glutamate NMDA receptor [Mus musculus]
Substance Effect
inhibitory activity
Bioassay Category
In Vitro (Efficacy)
Bioassay Details
Inhibitory concentration of the compound against mice NMDA receptor
Substance RN
8411503View in Reaxys
Measurement Parameter
IC50
Unit
µM
Qualitative value
<
Quantitative value
300
Measurement pX
3.52
Target, Subunit, Species Ionotropic glutamate NMDA receptor [Mus musculus] 43 of 43
Target Mutant/Chimera Details
Ionotropic glutamate NMDA receptor [human]:Wild
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Substance Action on Target
Inhibitor
Target Species (Bioactivity)
human
Target Subunit Proteins
Ionotropic glutamate NMDA receptor [human]
Substance Effect
inhibitory activity
Bioassay Category
In Vitro (Efficacy)
Bioassay Details
Inhibitory concentration of the compound against human NMDA receptor
Substance RN
8411503View in Reaxys
Measurement Parameter
IC50
Unit
µM
Qualitative value
<
Quantitative value
300
Measurement pX
3.52
Target, Subunit, Species Ionotropic glutamate NMDA receptor [human]
Reaxys ID 8869472 View in Reaxys
S
2/6 Chemical Name: CI-634; 2-(ethylamino)-2-(2-thienyl)-cyclohexanone hydrochloride; tiletamine hydrochloride; 2-(ethylamino)-2-(2-thienyl)cyclohexanone hydrochloride; tiletamine HCl Linear Structure Formula: C12H17NOS*ClH Molecular Formula: C12H17NOS*ClH Molecular Weight: 259.8 Type of Substance: heterocyclic InChI Key: ZUYKJZQOPXDNOK-UHFFFAOYSA-N Note:
O Cl
H
HN
Patent-Specific Data (1) Location in Patent References Claim
Patent; ALTERGON S.A.; EP1273301; (2003); (A2) English, View in Reaxys
Druglikeness (1) 1 of 1
LogP
2.257
H Bond Donors
1
H Bond Acceptors
2
Rotatable Bonds
3
TPSA
57.34
Lipinski Number
4
Veber Number
2
Highest Clinical Phase (1) Highest Clinical Phase Marketed Melting Point (1) 1 of 1
Melting Point [°C]
182 - 186
Comment (Melting Point)
with decomposition
Sato, Shohei; Takeda, Norihiko; Ueda, Masafumi; Miyata, Okiko; Synthesis (Germany); vol. 48; nb. 6; (2016); p. 882 - 892; Art.No: SS-2015-F0643-OP, View in Reaxys Crystal Property Description (1)
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Colour & Other Properties
References
white
Sato, Shohei; Takeda, Norihiko; Ueda, Masafumi; Miyata, Okiko; Synthesis (Germany); vol. 48; nb. 6; (2016); p. 882 - 892; Art.No: SS-2015-F0643-OP, View in Reaxys
NMR Spectroscopy (2) 1 of 2
Description (NMR Spec- Chemical shifts; Spectrum troscopy) Nucleus (NMR Spectroscopy)
1H
Solvents (NMR Spectro- dimethylsulfoxide-d6 scopy) Frequency (NMR Spectroscopy) [MHz]
500
Location
supporting information
Sato, Shohei; Takeda, Norihiko; Ueda, Masafumi; Miyata, Okiko; Synthesis (Germany); vol. 48; nb. 6; (2016); p. 882 - 892; Art.No: SS-2015-F0643-OP, View in Reaxys 2 of 2
Description (NMR Spec- Chemical shifts; Spectrum troscopy) Nucleus (NMR Spectroscopy)
13C
Solvents (NMR Spectro- dimethylsulfoxide-d6 scopy) Frequency (NMR Spectroscopy) [MHz]
125
Location
supporting information
Sato, Shohei; Takeda, Norihiko; Ueda, Masafumi; Miyata, Okiko; Synthesis (Germany); vol. 48; nb. 6; (2016); p. 882 - 892; Art.No: SS-2015-F0643-OP, View in Reaxys IR Spectroscopy (1) 1 of 1
Description (IR Spectroscopy)
Bands
Solvent (IR Spectroscopy)
chloroform
Sato, Shohei; Takeda, Norihiko; Ueda, Masafumi; Miyata, Okiko; Synthesis (Germany); vol. 48; nb. 6; (2016); p. 882 - 892; Art.No: SS-2015-F0643-OP, View in Reaxys Mass Spectrometry (1) Description (Mass References Spectrometry) high resolution mass spectrometry (HRMS); electrospray ionisation (ESI); spectrum
Sato, Shohei; Takeda, Norihiko; Ueda, Masafumi; Miyata, Okiko; Synthesis (Germany); vol. 48; nb. 6; (2016); p. 882 - 892; Art.No: SS-2015-F0643-OP, View in Reaxys
(0) Medchem (23) 1 of 23
Target Mutant/Chimera Details
enzyme:Wild
Target Subunit Proteins
enzyme
Target Transfection
Non Transfected
Bioassay Category
In Vivo (Animal models)
Bioassay Name
In vivo Measurement
Bioassay Details
Effect : |enzyme; examination of Bioassay : A = Omura and Sato, J. Biol. Chem., 239, 2370-2378 (1964); B = Sonderfan et al., Arch. Biochem. Biophys., 255, 27-41 (1987); C = Wong and Bandiera, Biochem. Phar-
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macol., 52, 735-742 (1996) effect of title comp. on activities of cytochrome P450 (CYP) isozymes (A), testosterone hydroxylase (B), benzyloxy- and ethoxyresofurin O-dealkylase (BROD and EROD, C) in hepatic microsomes Substance RN
8869472View in Reaxys
Substance Name
1857085
Substance Dose
60 mg/kg
Substance Route of Adm.
intraperitoneal administration
Qualitative Results
no significant effect on CYP content, EROD, and tstosterone hydroxylase activities; small, insignificant increase in BROD
Measurement Parameter
Qualitative
Target, Subunit, Species enzyme Wong, Anne; Bandiera, Stelvio M.; Biochemical Pharmacology; vol. 55; nb. 2; (1998); p. 201 - 207, View in Reaxys 2 of 23
Target Mutant/Chimera Details
enzyme:Wild
Target Subunit Proteins
enzyme
Target Transfection
Non Transfected
Bioassay Category
In Vivo (Animal models)
Bioassay Name
In vivo Measurement
Bioassay Details
Effect : |enzyme; induction of Bioassay : effect of title comp. on hepatic levels of cytochrome P450 (CYP) 2B and P450 3A isozymes (immunoblots densitometry)
Substance RN
8869472View in Reaxys
Substance Name
1857085
Substance Dose
60 mg/kg
Substance Route of Adm.
intraperitoneal administration
Qualitative Results
slight, insignificant increase in hepatic content of isozymes
Measurement Parameter
Qualitative
Target, Subunit, Species enzyme Wong, Anne; Bandiera, Stelvio M.; Biochemical Pharmacology; vol. 55; nb. 2; (1998); p. 201 - 207, View in Reaxys 3 of 23
Bioassay Category
Toxicity/Safety Pharmacology
Bioassay Details
Toxic dose of the compound causes mild nephrosis in rabbit upon intramuscular administration
Biological Species/NCBI rabbit ID Substance RN
8869472View in Reaxys
Measurement Parameter
TD
Unit
mg/kg
Qualitative value
=
Quantitative value
7.5
Doerning; Brammer; Chrisp; Rush; Laboratory Animal Science; vol. 42; nb. 3; (1992); p. 267 - 269, View in Reaxys 4 of 23
Bioassay Category
Toxicity/Safety Pharmacology
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Bioassay Details
Toxic dose of the compound causes renal tubular necrosis in rabbit upon intramuscular administration
Biological Species/NCBI rabbit ID Substance RN
8869472View in Reaxys
Measurement Parameter
TD
Unit
mg/kg
Qualitative value
=
Quantitative value
32
Doerning; Brammer; Chrisp; Rush; Laboratory Animal Science; vol. 42; nb. 3; (1992); p. 267 - 269, View in Reaxys 5 of 23
Substance Action on Target
Inhibitor
Bioassay Category
In Vitro (Efficacy)
Bioassay Details
Inhibitory concentration against NMDA-evoked [3H]ACh release from striatal cholinergic interneurons
Cells/Cell Lines
Brain striatal cholinergic interneuron cell
Substance RN
8869472View in Reaxys
Measurement Parameter
IC50
Unit
µM
Qualitative value
=
Quantitative value
0.59
Measurement pX
6.23
Lehmann; Tsai; Wood; Journal of Neurochemistry; vol. 51; nb. 6; (1988); p. 1765 - 1770, View in Reaxys 6 of 23
Bioassay Category
Metabolism/Transport
Bioassay Details
Elimination half life of the compound in polar bears after intramuscular injection of Telazol (Mixture of tiletamine hydrochloride and zolazepam hydrochloride)
Biological Species/NCBI Bear ID Substance RN
8869472View in Reaxys
Qualitative Results
1.8 +/- 0.2
Measurement Parameter
t1/2 el
Unit
hour
Quantitative value
1.8
Semple; Gorecki; Farley; Ramsay; Journal of wildlife diseases; vol. 36; nb. 4; (2000); p. 653 - 662, View in Reaxys 7 of 23
Bioassay Category
Metabolism/Transport
Bioassay Details
Steady-state volume of distribution of the compound in polar bears after intramuscular injection of Telazol (Mixture of tiletamine hydrochloride and zolazepam hydrochloride)
Biological Species/NCBI Bear ID Substance RN
8869472View in Reaxys
Substance Route of Adm.
intramuscular administration
Qualitative Results
5.2 +/- 0.6
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Measurement Parameter
Vd ss
Unit
L/kg
Quantitative value
5.2
Semple; Gorecki; Farley; Ramsay; Journal of wildlife diseases; vol. 36; nb. 4; (2000); p. 653 - 662, View in Reaxys 8 of 23
Bioassay Category
Pharmacokinetic
Bioassay Details
Elimination rate constant of the compound in polar bear after intramuscular injection of Telazol (Mixture of tiletamine hydrochloride and zolazepam hydrochloride)
Biological Species/NCBI Bear ID Substance RN
8869472View in Reaxys
Substance Route of Adm.
intramuscular administration
Measurement Parameter
Qualitative
Semple; Gorecki; Farley; Ramsay; Journal of wildlife diseases; vol. 36; nb. 4; (2000); p. 653 - 662, View in Reaxys 9 of 23
Bioassay Category
Pharmacokinetic
Bioassay Details
Total body clearance of the compound in polar bears after intramuscular injection of Telazol (Mixture of tiletamine hydrochloride and zolazepam hydrochloride)
Biological Species/NCBI Bear ID Substance RN
8869472View in Reaxys
Substance Route of Adm.
intramuscular administration
Qualitative Results
35 +/- 4.833
Measurement Parameter
Cl
Unit
mL/min/kg
Quantitative value
35
Semple; Gorecki; Farley; Ramsay; Journal of wildlife diseases; vol. 36; nb. 4; (2000); p. 653 - 662, View in Reaxys 10 of 23
Bioassay Category
Metabolism/Transport
Bioassay Details
Area under the concentration versus time curve of the compound in polar bear after intramuscular injection of Telazol (Mixture of tiletamine hydrochloride and zolazepam hydrochloride)
Biological Species/NCBI Bear ID Substance RN
8869472View in Reaxys
Substance Route of Adm.
intramuscular administration
Measurement Parameter
AUC
Unit
µg.h/g
Quantitative value
2.5
Deviation
0.19
Semple; Gorecki; Farley; Ramsay; Journal of wildlife diseases; vol. 36; nb. 4; (2000); p. 653 - 662, View in Reaxys 11 of 23
Bioassay Category
Metabolism/Transport
Bioassay Details
Total body clearance of the compound in polar bear after intramuscular injection of Telazol (Mixture of tiletamine hydrochloride and zolazepam hydrochloride)
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2017-08-07 01:01:06
Biological Species/NCBI Bear ID Substance RN
8869472View in Reaxys
Substance Route of Adm.
intramuscular administration
Measurement Parameter
Cl
Unit
mL/min/kg
Quantitative value
35
Semple; Gorecki; Farley; Ramsay; Journal of wildlife diseases; vol. 36; nb. 4; (2000); p. 653 - 662, View in Reaxys 12 of 23
Target Mutant/Chimera Details
Glutamate receptor ionotropic, NMDA 2D:Wild
Substance Action on Target
Inhibitor
Target Subunit Proteins
Glutamate receptor ionotropic, NMDA 2D
Bioassay Category
In Vitro (Efficacy)
Bioassay Details
Inhibitory concentration of the compound towards displacement of [3H]1-(2-thienyl)cyclohexylpiperidine binding to PCP site of N-methyl d-aspartate receptor
Substance RN
8869472View in Reaxys
Measurement Parameter
IC50
Unit
nM
Quantitative value
79
Measurement pX
7.1
Target, Subunit, Species Glutamate receptor ionotropic, NMDA 2D 13 of 23
Bioassay Category
In Vivo (Animal models)
Bioassay Details
Effective dose for protection against sound-induced clonic seizures in DBA/2 mice 15 min following the intracerebroventricular administration
Biological Species/NCBI Mus musculus ID Substance RN
8869472View in Reaxys
Substance Route of Adm.
intracerebroventricular administration
Measurement Parameter
ED50
Unit
nM
Quantitative value
40
Measurement pX
7.4
Chapman; Meldrum; European Journal of Pharmacology; vol. 166; nb. 2; (1989); p. 201 - 211, View in Reaxys 14 of 23
Bioassay Category
In Vivo (Animal models)
Bioassay Details
Effective dose for protection against sound-induced clonic seizures in DBA/2 mice 15 min following the intracerebroventricular administration
Biological Species/NCBI Mus musculus ID Substance RN
8869472View in Reaxys
Substance Route of Adm.
intracerebroventricular administration
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Measurement Parameter
ED50
Unit
nM
Qualitative value
=
Quantitative value
40
Measurement pX
7.4
Chapman; Meldrum; European Journal of Pharmacology; vol. 166; nb. 2; (1989); p. 201 - 211, View in Reaxys 15 of 23
Target Mutant/Chimera Details
Glutamate receptor ionotropic, NMDA 2D:Wild
Substance Action on Target
Radioligand (/ligand)
Target Subunit Proteins
Glutamate receptor ionotropic, NMDA 2D
Bioassay Category
In Vitro (Efficacy)
Bioassay Details
Displacement of [3H]1-(2-thienyl)cyclohexylpiperidine binding to PCP site of N-methyl daspartate receptor
Substance RN
8869472View in Reaxys
Measurement Parameter
IC50
Unit
nM
Qualitative value
=
Quantitative value
79
Measurement pX
7.1
Target, Subunit, Species Glutamate receptor ionotropic, NMDA 2D 16 of 23
Bioassay Category
In Vitro (Efficacy)
Bioassay Details
Duration of anticonvulsant effect of the compound in DBA/2 mice; Range = 10-30 min
Biological Species/NCBI Mus musculus ID Substance RN
8869472View in Reaxys
Qualitative Results
Range = 10-30 min
Measurement Parameter
Activity
Unit
minute
Quantitative value
30
Chapman; Meldrum; European Journal of Pharmacology; vol. 166; nb. 2; (1989); p. 201 - 211, View in Reaxys 17 of 23
Bioassay Category
In Vitro (Efficacy)
Bioassay Details
Duration of anticonvulsant effect of the compound in DBA/2 mice; Value range = 10-30 min
Biological Species/NCBI Mus musculus ID Substance RN
8869472View in Reaxys
Measurement Parameter
Time
Unit
minute
Qualitative value
=
Quantitative value
30
Chapman; Meldrum; European Journal of Pharmacology; vol. 166; nb. 2; (1989); p. 201 - 211, View in Reaxys
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18 of 23
Bioassay Category
Pharmacokinetic
Bioassay Details
Elimination rate constant of the compound in polar bears after intramuscular injection of Telazol (Mixture of tiletamine hydrochloride and zolazepam hydrochloride)
Biological Species/NCBI Bear ID Substance RN
8869472View in Reaxys
Qualitative Results
0.42 +/- 0.04
Measurement Parameter
Qualitative
Semple; Gorecki; Farley; Ramsay; Journal of wildlife diseases; vol. 36; nb. 4; (2000); p. 653 - 662, View in Reaxys 19 of 23
Bioassay Category
Pharmacokinetic
Bioassay Details
Area under the concentration versus time curve of the compound in polar bears after intramuscular injection of Telazol (Mixture of tiletamine hydrochloride and zolazepam hydrochloride)
Biological Species/NCBI Bear ID Substance RN
8869472View in Reaxys
Substance Route of Adm.
intramuscular administration
Qualitative Results
2.500 +/- 0.190
Measurement Parameter
AUC
Unit
µg.h/g
Quantitative value
2.5
Semple; Gorecki; Farley; Ramsay; Journal of wildlife diseases; vol. 36; nb. 4; (2000); p. 653 - 662, View in Reaxys 20 of 23
Bioassay Category
Metabolism/Transport
Bioassay Details
Elimination half life of the compound in polar bear after intramuscular injection of Telazol (Mixture of tiletamine hydrochloride and zolazepam hydrochloride)
Biological Species/NCBI Bear ID Substance RN
8869472View in Reaxys
Substance Route of Adm.
intramuscular administration
Measurement Parameter
t1/2 el
Unit
hour
Quantitative value
1.8
Deviation
0.2
Semple; Gorecki; Farley; Ramsay; Journal of wildlife diseases; vol. 36; nb. 4; (2000); p. 653 - 662, View in Reaxys 21 of 23
Bioassay Category
In Vivo (Animal models)
Bioassay Details
Effective dose for protection against sound-induced clonic seizures in DBA/2 mice 15 min following the intraperitoneal administration
Biological Species/NCBI Mus musculus ID Substance RN
8869472View in Reaxys
Substance Route of Adm.
intraperitoneal administration
Measurement Parameter
ED50
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Unit
nM
Quantitative value
5.6
Measurement pX
8.25
Chapman; Meldrum; European Journal of Pharmacology; vol. 166; nb. 2; (1989); p. 201 - 211, View in Reaxys 22 of 23
Bioassay Category
In Vivo (Animal models)
Bioassay Details
Effective dose for protection against sound-induced clonic seizures in DBA/2 mice 15 min following the intraperitoneal administration
Biological Species/NCBI Mus musculus ID Substance RN
8869472View in Reaxys
Substance Route of Adm.
intraperitoneal administration
Measurement Parameter
ED50
Unit
nM
Qualitative value
=
Quantitative value
5.6
Measurement pX
8.25
Chapman; Meldrum; European Journal of Pharmacology; vol. 166; nb. 2; (1989); p. 201 - 211, View in Reaxys 23 of 23
Bioassay Category
Metabolism/Transport
Bioassay Details
Steady-state volume of distribution of the compound in polar bear after intramuscular injection of Telazol (Mixture of tiletamine hydrochloride and zolazepam hydrochloride)
Biological Species/NCBI Bear ID Substance RN
8869472View in Reaxys
Substance Route of Adm.
intramuscular administration
Measurement Parameter
Vd ss
Unit
L/kg
Quantitative value
5.2
Deviation
0.6
Semple; Gorecki; Farley; Ramsay; Journal of wildlife diseases; vol. 36; nb. 4; (2000); p. 653 - 662, View in Reaxys
Reaxys ID 8896825 View in Reaxys
3/6 Chemical Name: tiletamine hydrochloride; zolazepam hydrochloride; mixture of; Telazol Type of Substance: mixture (composition completely given) Composition: Comp. Name: 4-(o-fluorophenyl)-6,8-dihydro-1,3,8-trimethylpyrazolo(3,4-e(1,4)diazepin-7(1H)-one hydrochloride; CI-634 Composition: Comp. Conc.: 50 weight percent; 50 weight percent Note:
No Structure
(0) Medchem (6) 1 of 6
Bioassay Category
In Vivo (Animal models)
Bioassay Details
enzyme; induction of
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Long Evans rat Substance RN
8896825View in Reaxys
Substance Dose
120 mg/kg
Substance Route of Adm.
intraperitoneal administration
Qualitative Results
title comp. increased 22-fold the hepatic content of CYP2B, 2-fold of CYP3A
Measurement Parameter
Activity
Qualitative value
ND
Wong, Anne; Bandiera, Stelvio M.; Biochemical Pharmacology; vol. 55; nb. 2; (1998); p. 201 - 207, View in Reaxys 2 of 6
Bioassay Category
In Vitro (Efficacy)
Bioassay Details
enzyme; examination of Long Evans rat A = Omura and Sato, J. Biol. Chem., 239, 2370-2378 (1964); B = Sonderfan et al., Arch. Biochem. Biophys., 255, 27-41 (1987); C = Wong and Bandiera, Biochem. Pharmacol., 52, 735-742 (1996)
Substance RN
8896825View in Reaxys
Substance Dose
120 mg/kg
Substance Route of Adm.
intraperitoneal administration
Qualitative Results
no significant effect on CYP content, EROD, 6β-, and 7α-TH activities, androstenedione formation; 8-fold increase in 16β-TH; significant decrease in 16α- and 2α-TH activities; significant (15-fold) increase in BROD
Measurement Parameter
Activity
Qualitative value
ND
Wong, Anne; Bandiera, Stelvio M.; Biochemical Pharmacology; vol. 55; nb. 2; (1998); p. 201 - 207, View in Reaxys 3 of 6
Bioassay Category
In Vivo (Animal models)
Bioassay Details
enzyme; induction of Long Evans rats microsomal testosterone hydroxylase activity in hepatic microsomes of treated and untreated rats determined by the method of Sonderfan et al., the rates of formation of various oxidative metabolites of testosterone have been used as catalytic markers
Substance RN
8896825View in Reaxys
Substance Dose
20 - 120 mg/kg
Substance Route of Adm.
intraperitoneal administration
Qualitative Results
(table); signific. and dose-dependent increase in testosterone 16β-hydroxylase activ. (control=68, dose 120 mg/kg=388 pmol metabol./min/mg protein); signif. reduction in 2α-hydroxylase activ. and decrease in 16α-hydroxylase activ. at doses gt;=80 mg/kg
Measurement Parameter
Activity
Qualitative value
ND
Wong, Anne; Bandiera, Stelvio M.; Biochemical Pharmacology; vol. 52; nb. 5; (1996); p. 735 - 742, View in Reaxys 4 of 6
Bioassay Category
In Vivo (Animal models)
Bioassay Details
on cytochrome P450 Long Evans rats
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antibody inhibition; effect of polyclonal anti-cytochrome P450 2B1 IgG on benzyloxyresorufin dealkylase(BROD) activ. in hepatic microsomes from rats (control and treated); presence of various conc. of anti-cytochrome P450 2B1 IgG and control IgG Substance RN
8896825View in Reaxys
Substance Dose
120 mg/kg
Substance Route of Adm.
intraperitoneal administration
Qualitative Results
in presence of 0.5 mg of anti-cyt. P450 2B1 IgG/nmol cyt. P450, BROD activity in microsomes of control and treated rats was inhibited by ca. 25 and 92 percent, resp.; in presence of 5 mg/nmol BROD activity inhibited by ca. 55 and gt;95 percent, respectively (diagrams)
Measurement Parameter
Activity
Qualitative value
ND
Wong, Anne; Bandiera, Stelvio M.; Biochemical Pharmacology; vol. 52; nb. 5; (1996); p. 735 - 742, View in Reaxys 5 of 6
Bioassay Category
In Vivo (Animal models)
Bioassay Details
on cytochrome P450 Long Evans rats ethoxyresorufin O-deethylase(EROD) and benzyloxyresorufin O-dealkylase(BROD) activities in hepatic microsomes from treated and control rats measured with spectrofluorophotometer; p-nitrophenol hydroxylase activity measured with UV-160 spectrophotometer
Substance RN
8896825View in Reaxys
Substance Dose
20 - 120 mg/kg
Substance Route of Adm.
intraperitoneal administration
Qualitative Results
no effect on total cytochrome P450 content and on p-nitrophenol hydroxylase activ.; increase of mean BROD activity(pmol/min/mg protein): control=539, highest dose=3876; increase of mean EROD activ.(pmol/min/mg protein): control=740, highest dose=1142
Measurement Parameter
Activity
Qualitative value
ND
Wong, Anne; Bandiera, Stelvio M.; Biochemical Pharmacology; vol. 52; nb. 5; (1996); p. 735 - 742, View in Reaxys 6 of 6
Bioassay Category
In Vivo (Animal models)
Bioassay Details
on cytochrome P450 Long Evans rats immunoquantitation; effect on protein expression, cytochrome P450 2B levels examined by immunoblot analysis
Substance RN
8896825View in Reaxys
Substance Dose
20 - 120 mg/kg
Substance Route of Adm.
intraperitoneal administration
Qualitative Results
(figure), two immunostained protein bands corresponding to cytochromes P450 2B2 and 2B1 apparent; weakly stained third band correspond. possibly to cyt. P450 2B3; dose-dependent increase in cyt. P450 2B1 content, 17-fold increase after 120 mg/kg (table)
Measurement Parameter
Activity
Qualitative value
ND
Wong, Anne; Bandiera, Stelvio M.; Biochemical Pharmacology; vol. 52; nb. 5; (1996); p. 735 - 742, View in Reaxys
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Reaxys ID 28570198 View in Reaxys
4/6 -1 HCl
Chemical Name: tiletamine hydrochloride Linear Structure Formula: C12H17NOS*xClH Molecular Formula: C12H17NOS*(x)ClH InChI Key: ZUYKJZQOPXDNOK-UHFFFAOYSA-N Note:
S
HN O
Druglikeness (1) 1 of 1
LogP
2.257
H Bond Donors
1
H Bond Acceptors
2
Rotatable Bonds
3
TPSA
57.34
Lipinski Number
4
Veber Number
2
Reaxys ID 8477672 View in Reaxys
5/6 Chemical Name: Alpine marmot temporal gland secretion, ethanol extrct Type of Substance: mixture (composition partially given) Composition: Comp. Name: phenylmethanethiol; hexadecanoic acid; 4-methyl-4-hydroxypentan-2-one; 1 (1,1 dimethylethyl) 2 methoxy 4 methyl 3,5 dinitrobenzene; Tiletamine; Alpine marmot temporal gland secretion, ethanol extract Note:
No Structure
Substance Label (1) Label References EE
Bel; Coulon; Sreng; Allaine; Bagneres; Clement; Journal of Chemical Ecology; vol. 25; nb. 10; (1999); p. 2267 - 2283, View in Reaxys
Isolation from Natural Product (1) Isolation from References Natural Product secretion exudate Bel; Coulon; Sreng; Allaine; Bagneres; Clement; Journal of Chemical Ecology; vol. 25; nb. 10; (1999); p. of the temporal 2267 - 2283, View in Reaxys gland of Alpine marmots, Marmota marmota
Reaxys ID 30127777 View in Reaxys
S
NH
6/6
O
Chemical Name: Tiletamine Urethane Linear Structure Formula: C3H7NO2*C12H17NOS Molecular Formula: C3H7NO2*C12H17NOS Molecular Weight: 312.433 InChI Key: ZEOXVZIDUMTLQX-UHFFFAOYSA-N Note:
NH 2 O O
Druglikeness (1) 1 of 1
H Bond Donors
2
H Bond Acceptors
5
Rotatable Bonds
5
TPSA
109.66
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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Lipinski Number
3
Veber Number
2
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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