O-1602 - Moligand™, ≥98%, 10mg/ml in methyl acetate , Agonist of GPR18;Agonist of GPR55, CAS No.317321-41-8, Agonist of GPR18;Agonist of GPR55

CAS: 317321-41-8 Cat. No.: O275306 Molecular Weight: 258.36

GRADE & PURITY Moligand™, ≥98%, 10mg/ml in methyl acetate

Synonyms

J-018524 | SR-01000946749-1 | O 1602 | Q15409358 | SCHEMBL3763279 | 5-METHYL-4-[(1R,6R)-3-METHYL-6-(1-METHYLETHENYL)-2-CYCLOHEXEN-1-YL]-1,3-BENZENEDIOL | 5-Methyl-4-((1R,6R)-3-methyl-6-(1-methylethenyl)-2-cyclohexen-1-yl)-1,3-benzenediol | AT28248 | SR-01

Storage

Store at -20°C,Desiccated

Shipped In

Ice chest + Ice pads

Overview

Store at -20°C (desiccating conditions).

Specifications

Synonyms

J-018524 | SR-01000946749-1 | O 1602 | Q15409358 | SCHEMBL3763279 | 5-METHYL-4-[(1R, 6R)-3-METHYL-6-(1-METHYLETHENYL)-2-CYCLOHEXEN-1-YL]-1, 3-BENZENEDIOL | 5-Methyl-4-((1R, 6R)-3-methyl-6-(1-methylethenyl)-2-cyclohexen-1-yl)-1, 3-benzenediol | AT28248 | SR-01

Specifications & Purity

Moligand™, ≥98%, 10mg/ml in methyl acetate

Biochemical and Physiological Mechanisms

Analog of cannabidiol that is a potent agonist at the GPR55 cannabinoid receptor (EC 50 values are 13, >30000 and >30000 nM for GPR55, CB1 and CB2 receptors, respectively).

Storage

Store at -20°C, Desiccated

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

Mechanism of action

Agonist of GPR18;Agonist of GPR55

Note

Providing storage is as stated on the product vial and the vial is kept tightly sealed, the product can be stored for up to 6 months. Before use, and prior to opening the vial we recommend that you allow your product to equilibrate to room temperature for at least 1 hour. Need more advice on solubility, usage and handling? Please visit our frequently asked questions (FAQ) page for more details.

Purity

≥98%

Names and Identifiers

• Canonical Smiles: CC1=CC(C(CC1)C(=C)C)C2=C(C=C(C=C2C)O)O
• IUPAC Name: 5-methyl-4-[(1R,6R)-3-methyl-6-prop-1-en-2-ylcyclohex-2-en-1-yl]benzene-1,3-diol
• InChIKey: KDZOUSULXZNDJH-LSDHHAIUSA-N
• INCHI: 1S/C17H22O2/c1-10(2)14-6-5-11(3)7-15(14)17-12(4)8-13(18)9-16(17)19/h7-9,14-15,18-19H,1,5-6H2,2-4H3/t14-,15+/m0/s1
• Isomeric SMILES: CC1=C[C@H]([C@@H](CC1)C(=C)C)C2=C(C=C(C=C2C)O)O
• Molecular Weight: 258.36
• Reaxy-Rn: 14504902
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=14504902&ln=

Associated Targets(Human)

GPR18 Tchem N-arachidonyl glycine receptor (1 Activities)

Discover Target: GPR18

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)

Mechanisms of Action

Chemical and Physical Properties

• Solubility: Supplied in methyl acetate (10 mg/ml)
• Molecular Weight: 258.350 g/mol
• XLogP3: 4.500
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 258.162 Da
• Monoisotopic Mass: 258.162 Da
• Topological Polar Surface Area: 40.500 Ų
• Heavy Atom Count: 19
• Formal Charge: 0
• Complexity: 371.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 2
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 1