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Chemical structure of BMS-813160

GC19077

BMS-813160

Also known as N-[(1R,2S,5R)-5-(tert-butylamino)-2-[(3S)-3-[(7-tert-butylpyrazolo[1,5-a][1,3,5]triazin-4-yl)amino]-2-oxopyrrolidin-1-yl]cyclohexyl]acetamide

BMS-813160 is the first dual CCR2/CCR5 antagonist to enter clinical development for cardiovascular

ChemicalCAS1286279-29-5MW484.64FormulaC25H40N8O2
CAS number
1286279-29-5
Molecular weight
484.64
Formula
C25H40N8O2
Solubility
DMSO ： 25 mg/mL (51·58 mM)
InChIKey
CMVHFGNTABZQJU-HCXYKTFWSA-N
Catalogue number
GC19077
Brand
GLPBIO
Computed properties PubChem CID 51039119 · XLogP 2.7 · TPSA 117 Ų · H-bond donors 3
XLogP
2.7
TPSA
117 Ų
H-bond donors
3
H-bond acceptors
7
Rotatable bonds
7
Heavy atoms
35

SMILES CC(=O)N[C@@H]1C[C@@H](CC[C@@H]1N2CC[C@@H](C2=O)NC3=NC=NC4=CC(=NN43)C(C)(C)C)NC(C)(C)C

Computed descriptors from PubChem (CID 51039119), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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