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Chemical structure of Amauromine

GC42778

Amauromine

Also known as (1S,4S,12R,14S,17S,25R)-12,25-bis(2-methylbut-3-en-2-yl)-3,5,16,18-tetrazaheptacyclo[14.10.0.03,14.04,12.06,11.017,25.019,24]hexacosa-6,8,10,19,21,23-hexaene-2,15-dione

Amauromine is a neutral antagonist of the cannabinoid (CB) receptor CB1 that is selective for CB1 (Ki = 178 nM; Kb = 66·6 nM) over CB2, with no activity at CB2 receptors at concentrations up to 10 μM

ChemicalCAS88360-87-6MW508.7FormulaC32H36N4O2
CAS number
88360-87-6
Molecular weight
508.7
Formula
C32H36N4O2
Solubility
DMSO： Soluble,Ethanol： Soluble,Methanol： Soluble
InChIKey
VKEAHNPKYMHYJJ-CBYNOBLXSA-N
Catalogue number
GC42778
Brand
GLPBIO
Computed properties PubChem CID 10369017 · XLogP 6.7 · TPSA 64.7 Ų · H-bond donors 2
XLogP
6.7
TPSA
64.7 Ų
H-bond donors
2
H-bond acceptors
4
Rotatable bonds
4
Heavy atoms
38

SMILES CC(C)(C=C)[C@@]12C[C@H]3C(=O)N4[C@@H](C[C@@]5([C@H]4NC6=CC=CC=C65)C(C)(C)C=C)C(=O)N3[C@@H]1NC7=CC=CC=C27

Computed descriptors from PubChem (CID 10369017), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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