CP-55,940 - Moligand™, ≥98% , Agonist of CB 1 receptor;Agonist of CB 2 receptor;Agonist of GPR55;Antagonist of GPR55, CAS No.83002-04-4, Agonist of CB 1 receptor;Agonist of CB 2 receptor;Agonist of GPR55;Antagonist of GPR55

CAS: 83002-04-4 Cat. No.: C341166 Molecular Weight: 376.57 EC Number: 998-463-5

GRADE & PURITY Moligand™, ≥98%

Synonyms

CP-55,940 also known as 5-(1,1-Dimethylheptyl)-2-[5-hydroxy-2-(3-hydroxypropyl)cyclohexyl]phenol | CP-55940 | CP55940 | 5-(1,1-Dimethylheptyl)-2-[5-hydroxy-2-(3-hydroxypropyl)cyclohexyl]phenol | 2-[(1R,2R,5R)-5-hydroxy-2-(3-hydroxypropyl) cyclohexyl]-5-(2

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Overview

CP-55940 is a cannabimimetic small molecule and a potent cannabinoid receptor agonist, demonstrating similar binding activity at both receptor types (CB1 K|i|=0.58 nM, CB2 K|i|=0.69 nM). CP-55940 represents a useful non-selective agonist entry into the growing library of synthetic cannabimimetics, compounds which are being actively explored for efficacy in perturbing Alzheimer′s disease and other neurodegenerative states.

Specifications

Synonyms

CP-55, 940 also known as 5-(1, 1-Dimethylheptyl)-2-[5-hydroxy-2-(3-hydroxypropyl)cyclohexyl]phenol | CP-55940 | CP55940 | 5-(1, 1-Dimethylheptyl)-2-[5-hydroxy-2-(3-hydroxypropyl)cyclohexyl]phenol | 2-[(1R, 2R, 5R)-5-hydroxy-2-(3-hydroxypropyl) cyclohexyl]-5-(2

Specifications & Purity

Moligand™, ≥98%

Biochemical and Physiological Mechanisms

CP-55940 is a non classical cannabinoid (NCC) lacking a tetrahydropyran ring. CP-55940, as a derivative of CP-47497, is enantioselective. Based on its amphiphilic characteristics, the CP-55940 chain plays a beneficial role in the interaction of cannabinoi

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

This product requires cold chain shipping. Ground and other economy services are not available.

Grade

Moligand™

Action Type

AGONIST, ANTAGONIST

Mechanism of action

Agonist of CB 1 receptor;Agonist of CB 2 receptor;Agonist of GPR55;Antagonist of GPR55

Purity

≥98%

Product Properties

• pKa: pKa: 10.25
• Ki Data: recombinant CB1 : Ki= 0.58 nM (human); recombinant CB2: Ki= 0.69 nM (human)

Names and Identifiers

• Canonical Smiles: CCCCCCC(C)(C)C1=CC(=C(C=C1)C2CC(CCC2CCCO)O)O
• IUPAC Name: 2-[5-hydroxy-2-(3-hydroxypropyl)cyclohexyl]-5-(2-methyloctan-2-yl)phenol
• InChIKey: YNZFFALZMRAPHQ-UHFFFAOYSA-N
• INCHI: 1S/C24H40O3/c1-4-5-6-7-14-24(2,3)19-11-13-21(23(27)16-19)22-17-20(26)12-10-18(22)9-8-15-25/h11,13,16,18,20,22,25-27H,4-10,12,14-15,17H2,1-3H3
• Isomeric SMILES: CCCCCCC(C)(C)C1=CC(=C(C=C1)C2CC(CCC2CCCO)O)O
• WGK Germany: 3
• RTECS: SL1955000
• MeSH Entry Terms: 3-(2-hydroxy-4-(1,1-dimethylheptyl)phenyl)-4-(3-hydroxypropyl)cyclohexanol;CP 55940;CP 56667;CP-55,940;CP-56,667;CP55,940;CP55940
• Molecular Weight: 376.57
• Reaxy-Rn: 11730875
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=11730875&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Class Benzene and substituted derivatives
      • Subclass Cyclohexylphenols

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Class: Benzene and substituted derivatives
• Subclass: Cyclohexylphenols
• Intermediate Tree Nodes: Not available
• Direct Parent: Cyclohexylphenols
• Alternative Parents: Phenylpropanes Cyclohexanols 1-hydroxy-4-unsubstituted benzenoids 1-hydroxy-2-unsubstituted benzenoids Cyclic alcohols and derivatives Primary alcohols Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Cyclohexylphenol - Phenylpropane - 1-hydroxy-4-unsubstituted benzenoid - 1-hydroxy-2-unsubstituted benzenoid - Phenol - Cyclohexanol - Cyclic alcohol - Secondary alcohol - Organic oxygen compound - Hydrocarbon derivative - Primary alcohol - Organooxygen compound - Alcohol - Aromatic homomonocyclic compound
• Description: This compound belongs to the class of organic compounds known as cyclohexylphenols. These are compounds containing a cyclohexane lined to a phenol group.
• External Descriptors: Not available

Data sources

1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.

DOI: 10.1186/s13321-016-0174-y

Associated Targets(Human)

CNR1 Tclin Cannabinoid receptor 1 (2 Activities)

Discover Target: CNR1

Activity Type	Activity Value -log(M)	Mechanism of Action	Activity Reference	Publications (PubMed IDs)

CNR2 Tchem Cannabinoid receptor 2 (2 Activities)

Discover Target: CNR2

Activity Type	Activity Value -log(M)	Mechanism of Action	Activity Reference	Publications (PubMed IDs)

GPR55 Tclin G-protein coupled receptor 55 (1 Activities)

Discover Target: GPR55

Activity Type	Activity Value -log(M)	Mechanism of Action	Activity Reference	Publications (PubMed IDs)

CNR1 Tclin Cannabinoid CB1 receptor (20913 Activities)

Discover Target: CNR1

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Mechanisms of Action

Chemical and Physical Properties

• Solubility: Soluble in ethanol, DMSO and DMF all at ~30 mg/ml. Sparingly soluble in aqueous buffers, ethanol:PBS (1:3, pH 7.2, 0.25 mg/ml).
• Refractive Index: n20D1.53
• Boil Point(°C): ~494.4° C at 760 mmHg (Predicted)
• Melt Point(°C): 212.69° C
• Molecular Weight: 376.600 g/mol
• XLogP3: 6.100
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 10
• Exact Mass: 376.298 Da
• Monoisotopic Mass: 376.298 Da
• Topological Polar Surface Area: 60.700 Ų
• Heavy Atom Count: 27
• Formal Charge: 0
• Complexity: 408.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 3
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 1