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Chemical structure of Vicasinabin

GC70118

Vicasinabin

Also known as (3S)-1-[5-tert-butyl-3-[(1-methyltetrazol-5-yl)methyl]triazolo[4,5-d]pyrimidin-7-yl]pyrrolidin-3-ol

Vicasinabin (RG7774) is an effective agonist of the cannabinoid receptor 2 (CB2)· Vicasinabin has potential for researching human diseases, including chronic pain, atherosclerosis, bone regulation, neuroinflammation and other related conditions (information extracted from patent US20130116236A1)

ChemicalCAS1433361-02-4MW358.4FormulaC15H22N10O
CAS number
1433361-02-4
Molecular weight
358.4
Formula
C15H22N10O
Solubility
DMSO ： 125 mg/mL (348·77 mM; Need ultrasonic)
InChIKey
MAYZWDRUFKUGGP-VIFPVBQESA-N
Catalogue number
GC70118
Brand
GLPBIO
Computed properties PubChem CID 86296048 · XLogP 0.7 · TPSA 124 Ų · H-bond donors 1
XLogP
0.7
TPSA
124 Ų
H-bond donors
1
H-bond acceptors
9
Rotatable bonds
4
Heavy atoms
26

SMILES CC(C)(C)C1=NC2=C(C(=N1)N3CC[C@@H](C3)O)N=NN2CC4=NN=NN4C

Computed descriptors from PubChem (CID 86296048), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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