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N
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Date
2 substances in Reaxys
2018-05-18 11h:20m:14s (UTC)
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2018-05-18 11:21:50
Reaxys ID 2647095 View in Reaxys
1/2 CAS Registry Number: 2201-19-6 Chemical Name: N,N-Diethyl-1-phenylcyclohexylamin; N,N-Diaethyl-1-phenyl-cyclohexylamin Linear Structure Formula: C16H25N Molecular Formula: C16H25N Molecular Weight: 231.381 Type of Substance: isocyclic InChI Key: GRHWLIMQOFAGHA-UHFFFAOYSA-N Note:
N
Substance Label (1) Label References 1i
Brine; Williams; Boldt; Carroll; Journal of Heterocyclic Chemistry; vol. 16; nb. 7; (1979); p. 1425 - 1429, View in Reaxys
Druglikeness (1) 1 of 1
LogP
4.2
H Bond Donors
0
H Bond Acceptors
1
Rotatable Bonds
4
TPSA
3.24
Lipinski Number
4
Veber Number
2
Derivative (2) Comment (Derivative)
References
Hydrochlorid: F:162-164grad (Tab.3); 13C-NMR (Tab.1)
Brine; Williams; Boldt; Carroll; Journal of Heterocyclic Chemistry; vol. 16; nb. 7; (1979); p. 1425 - 1429, View in Reaxys
Pikrat: F:152grad
Patent; Tanabe; JP1908767; (1960); Chem.Abstr.; vol. 69; nb. 10195f; (1968), View in Reaxys
Boiling Point (2) Boiling Point [°C]
Pressure (Boiling Point) [Torr]
References
102 - 107
0.1
MADDOX; GODEFROI; PARCELL; Journal of medicinal chemistry; vol. 8; (1965); p. 230 235, View in Reaxys
104
0.09
Patent; Tanabe; JP1908767; (1960); Chem.Abstr.; vol. 69; nb. 10195f; (1968), View in Reaxys
Medchem (3) 1 of 3
Target Name
Glutamate receptor ionotropic, NMDA 2D [guinea pig]
Target Synonyms
glutamate receptor ionotropic, nmda 2d
Target, Subunit, Species
Glutamate receptor ionotropic, NMDA 2D [guinea pig]
Target Mutant/Chimera Details
Glutamate receptor ionotropic, NMDA 2D [guinea pig]:Wild
Target Species (Bioactivity)
guinea pig
Substance Action on Target
Inhibitor
Bioassay Category
In Vitro (Efficacy)
Bioassay Details
Inhibitory activity against guinea pig brain PCP receptor using 1 nM [3H]TCP as radioligand upon incubation in Tris buffer at pH 7.4 for 1 h at 23 degree C
Biological Species/NCBI ID
guinea pig
Cells/Cell Lines
brain cell
Copyright © 2018 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.
2/5
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2 of 3
3 of 3
Substance RN
2647095View in Reaxys
Measurement Parameter
IC50
Unit
nM
Qualitative value
=
Quantitative value
331
Deviation
34
Measurement pX
6.48
Concomitants: Compound name
[3H]TCP
Concomitants: Compound role
RAD
Target Name
Sigma non-opioid intracellular receptor 1 [guinea pig]
Target Synonyms
oprs1; sigma 1-type opioid receptor; sigma non-opioid intracellular receptor 1; sigma1-receptor; sigma1r; sigmar1; sterol isomerase-like protein
Target Uniprot ID
q60492
Target, Subunit, Species
Sigma non-opioid intracellular receptor 1 [guinea pig]
Target Mutant/Chimera Details
Sigma non-opioid intracellular receptor 1 [guinea pig]:Wild
Target Species (Bioactivity)
guinea pig
Substance Action on Target
Inhibitor
Bioassay Category
In Vitro (Efficacy)
Bioassay Details
Inhibitory activity against guinea pig brain sigma receptor using 2 nM [3H]-d-SKF-10,047 as radioligand upon incubation in Tris buffer at pH 7.4 for 1 h at 23 degree C
Biological Species/NCBI ID
guinea pig
Cells/Cell Lines
brain cell
Substance RN
2647095View in Reaxys
Measurement Parameter
IC50
Unit
nM
Qualitative value
=
Quantitative value
573
Deviation
124
Measurement pX
6.24
Concomitants: Compound name
[3H]d-SKF 10047
Concomitants: Compound role
RAD
Bioassay Category
In Vivo (Animal models)
Bioassay Details
Dose of the compound required for anticonvulsant activity to abolish the extensor component of the convulsion in mouse upon ip adminstration; Protects 50 of animals
Biological Species/NCBI ID
Mus musculus
Substance RN
2647095View in Reaxys
Substance Route of Adm.
intraperitoneal administration
Measurement Parameter
Activity
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3/5
2018-05-18 11:21:50
Unit
mg/kg
Measurement Object
control
Qualitative value
=
Quantitative value
12.5
MADDOX; GODEFROI; PARCELL; Journal of medicinal chemistry; vol. 8; (1965); p. 230 - 235, View in Reaxys
Reaxys ID 24161650 View in Reaxys
2/2 Chemical Name: PCDEA hydrochloride Linear Structure Formula: C16H25N*ClH Molecular Formula: C16H25N*ClH Molecular Weight: 267.842 InChI Key: LYXJTIHXIGJEPG-UHFFFAOYSA-N Note:
HCl N
Druglikeness (1) 1 of 1
LogP
4.712
H Bond Donors
0
H Bond Acceptors
1
Rotatable Bonds
4
TPSA
3.24
Lipinski Number
4
Veber Number
2
Target Name
Sigma receptor [guinea pig]
Target Synonyms
sigma receptor
Target, Subunit, Species
Sigma receptor [guinea pig]
Target Mutant/Chimera Details
Sigma receptor [guinea pig]:Wild
Target Species (Bioactivity)
guinea pig
Target Transfection
Non Transfected
Bioassay Category
In Vitro (Efficacy)
Bioassay Name
Binding
Biological Species/NCBI ID
Dunkin Hartley guinea pig
Organs/Tissues
brain
Cell Fraction
Membrane
Substance RN
24161650View in Reaxys
Substance Name
PCDEA
Measurement Parameter
IC50
Unit
nM
Quantitative value
573
Deviation
124
Measurement pX
6.24
Medchem (2) 1 of 2
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2 of 2
Concomitants: Compound RN
5480843; 5480843
Concomitants: Compound name
[3H]-(+)-N-Allylnormetazocine; dl-N-Allylnormetazocine
Concomitants: Compound role
RAD; NSB
Target Name
Ionotropic glutamate NMDA receptor [guinea pig]
Target Synonyms
ionotropic glutamate nmda receptor
Target, Subunit, Species
Ionotropic glutamate NMDA receptor [guinea pig]
Target Mutant/Chimera Details
Ionotropic glutamate NMDA receptor [guinea pig]:Wild
Target Species (Bioactivity)
guinea pig
Target Transfection
Non Transfected
Bioassay Category
In Vitro (Efficacy)
Bioassay Name
Binding
Biological Species/NCBI ID
Dunkin Hartley guinea pig
Organs/Tissues
brain
Cell Fraction
Membrane
Substance RN
24161650View in Reaxys
Substance Name
PCDEA
Measurement Parameter
IC50
Unit
nM
Quantitative value
331
Deviation
34
Measurement pX
6.48
Concomitants: Compound RN
1287039; 1246605
Concomitants: Compound name
PCP; [3H]-TCP
Concomitants: Compound role
NSB; RAD
Copyright © 2018 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.
5/5
2018-05-18 11:21:50