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CP-866,087

CAT: 0804-HY-123582-01Size: 1 mgDry Ice: NoHazardous: No
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CAT#:0804-HY-123582-01Size:1 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
CP-866,087 is a novel, potent and selective μ-opioid receptor antagonist with activity to inhibit opioid effects. CP-866,087 has shown promising preclinical efficacy data in disease models associated with alcohol consumption. CP-866,087 has also been used to study female sexual dysfunction[1].
CAS Number
519052-02-9
UNSPSC
12352005
Target
Opioid Receptor
Type
Reference compound
Related Pathways
GPCR/G Protein; Neuronal Signaling
Applications
Neuroscience-Neuromodulation
Field of Research
Neurological Disease
Assay Protocol
https://www.medchemexpress.com/cp-866-087.html
Smiles
CC[C@@]1(C2=CC(NS(C)(=O)=O)=CC=C2)[C@]3([H])[C@@]1([H])CN(C3)CC4(CC5=CC=CC=C5C4)O
Molecular Formula
C24H30N2O3S
Molecular Weight
426.57
References & Citations
[1]Discovery of CP-866,087, a mu opioid receptor antagonist for the treatment of alcohol abuse and dependence
Shipping Conditions
Room temperature
Scientific Category
Reference compound1
Clinical Information
No Development Reported

Chemical Information

Methanesulfonamide, N-(3-(3-((2,3-dihydro-2-hydroxy-1H-inden-2-yl)methyl)-6-ethyl-3-azabicyclo(3.1.0)hex-6-yl)phenyl)-

CP-866,087 has been used in trials studying the treatment of Obesity, Alcoholism, and Sexual Dysfunction, Physiological.

CAS Number519052-02-9
PubChem CID11154544
IUPAC NameN-[3-[(1S,5R)-6-ethyl-3-[(2-hydroxy-1,3-dihydroinden-2-yl)methyl]-3-azabicyclo[3.1.0]hexan-6-yl]phenyl]methanesulfonamide
Molecular FormulaC24H30N2O3S
Molecular Weight426.6
XLogP3.3
Topological Polar Surface Area78
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count5
Rotatable Bond Count6
Heavy Atom Count30
Formal Charge0
Complexity722
SMILES
CCC1([C@H]2[C@@H]1CN(C2)CC3(CC4=CC=CC=C4C3)O)C5=CC(=CC=C5)NS(=O)(=O)C
InChI
InChI=1S/C24H30N2O3S/c1-3-24(19-9-6-10-20(11-19)25-30(2,28)29)21-14-26(15-22(21)24)16-23(27)12-17-7-4-5-8-18(17)13-23/h4-11,21-22,25,27H,3,12-16H2,1-2H3/t21-,22+,24?
InChIKey
ZBVPUFSKFGYNLC-RIKCKFAHSA-N
Chemical Structure
2D Structure
2D structure of Methanesulfonamide, N-(3-(3-((2,3-dihydro-2-hydroxy-1H-inden-2-yl)methyl)-6-ethyl-3-azabicyclo(3.1.0)hex-6-yl)phenyl)-
CAS: 519052-02-9
CID: 11154544
Formula: C24H30N2O3S
MW: 426.6
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight426.6
XLogP33.3
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count5
Rotatable Bond Count6
Exact Mass426.19771400
Monoisotopic Mass426.19771400
Topological Polar Surface Area78 Ų
Heavy Atom Count30
Formal Charge0
Complexity722
Isotope Atom Count0
Defined Atom Stereocenter Count2
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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