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Chemical structure of BMS 470539 (hydrochloride)

GC42954

BMS 470539 (hydrochloride)

Also known as (2S)-2-amino-N-[(2R)-1-(4-butanoyl-4-phenylpiperidin-1-yl)-3-(4-methoxyphenyl)-1-oxopropan-2-yl]-3-(3-methylimidazol-4-yl)propanamide;dihydrochloride

BMS 470539 is an agonist of melanocortin receptor 1 (MC1R) with EC50 values of 16·8 and 11·6 nM for human and murine MC1R, respectively, in a cAMP accumulation assay

ChemicalCAS2341796-82-3MW632.6FormulaC32H41N5O4•2HCl
CAS number
2341796-82-3
Molecular weight
632.6
Formula
C32H41N5O4•2HCl
Solubility
DMF： 25 mg/ml, DMSO： 10 mg/ml, Ethanol： 20 mg/ml
InChIKey
DUAOBJHRUKFKIH-YDVFRNEYSA-N
Catalogue number
GC42954
Brand
GLPBIO
Computed properties PubChem CID 60210130 · TPSA 120 Ų · H-bond donors 4 · H-bond acceptors 6
TPSA
120 Ų
H-bond donors
4
H-bond acceptors
6
Rotatable bonds
12
Heavy atoms
43

SMILES CCCC(=O)C1(CCN(CC1)C(=O)[C@@H](CC2=CC=C(C=C2)OC)NC(=O)[C@H](CC3=CN=CN3C)N)C4=CC=CC=C4.Cl.Cl

Computed descriptors from PubChem (CID 60210130), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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Lead time
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Documents
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