WIN 55212-2 mesylateProduct ingredient for WIN 55212-2
- Name
- WIN 55212-2 mesylate
- Drug Entry
- WIN 55212-2
WIN 55,212-2 is a chemical described as an aminoalkylindole derivative, which produces effects similar to those of cannabinoids such as tetrahydrocannabinol (THC) but has an entirely different chemical structure. It is a potent cannabinoid receptor agonist that has been found to be a potent analgesic in a rat model of neuropathic pain. It activates p42 and p44 MAP kinase via receptor-mediated signaling.
- Accession Number
- DBSALT002620
- Structure
Structure for WIN 55212-2 mesylate (DBSALT002620)
- Synonyms
- Not Available
- External IDs
- AK-57639 / AS16417 / HY-13291 / MR74291 / S-7696 / V35807
- UNII
- 2J851TP7VJ
- CAS Number
- 131543-23-2
- Weight
- Average: 522.62
Monoisotopic: 522.182457868 - Chemical Formula
- C28H30N2O6S
- InChI Key
- FSGCSTPOPBJYSX-VEIFNGETSA-N
- InChI
- InChI=1S/C27H26N2O3.CH4O3S/c1-18-25(27(30)22-9-4-7-19-6-2-3-8-21(19)22)23-10-5-11-24-26(23)29(18)20(17-32-24)16-28-12-14-31-15-13-28;1-5(2,3)4/h2-11,20H,12-17H2,1H3;1H3,(H,2,3,4)/t20-;/m1./s1
- IUPAC Name
- (11R)-2-methyl-11-[(morpholin-4-yl)methyl]-3-(naphthalene-1-carbonyl)-9-oxa-1-azatricyclo[6.3.1.0^{4,12}]dodeca-2,4(12),5,7-tetraene; methanesulfonic acid
- SMILES
- CS(O)(=O)=O.CC1=C(C(=O)C2=C3C=CC=CC3=CC=C2)C2=C3N1[C@H](CN1CCOCC1)COC3=CC=C2
- External Links
- ChemSpider
- 5036475
- ChEMBL
- CHEMBL1222317
- Predicted Properties
Property Value Source Water Solubility 0.00444 mg/mL ALOGPS logP 3.85 ALOGPS logP 4.47 Chemaxon logS -5 ALOGPS pKa (Strongest Basic) 6.35 Chemaxon Physiological Charge 0 Chemaxon Hydrogen Acceptor Count 4 Chemaxon Hydrogen Donor Count 0 Chemaxon Polar Surface Area 43.7 Å2 Chemaxon Rotatable Bond Count 4 Chemaxon Refractivity 125.47 m3·mol-1 Chemaxon Polarizability 47.57 Å3 Chemaxon Number of Rings 6 Chemaxon Bioavailability 1 Chemaxon Rule of Five No Chemaxon Ghose Filter No Chemaxon Veber's Rule No Chemaxon MDDR-like Rule No Chemaxon