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Chemical structure of Vibegron

GC63254

Vibegron

Also known as (6S)-N-[4-[[(2S,5R)-5-[(R)-hydroxy(phenyl)methyl]pyrrolidin-2-yl]methyl]phenyl]-4-oxo-7,8-dihydro-6H-pyrrolo[1,2-a]pyrimidine-6-carboxamide

Vibegron (MK-4618) is a potent, highly selective β3-adrenoceptor agonist (EC50=1·1 nM)

ChemicalCAS1190389-15-1MW444.53FormulaC26H28N4O3
CAS number
1190389-15-1
Molecular weight
444.53
Formula
C26H28N4O3
Solubility
DMSO ： 95 mg/mL (213·71 mM; Need ultrasonic)
InChIKey
DJXRIQMCROIRCZ-XOEOCAAJSA-N
Catalogue number
GC63254
Brand
GLPBIO
Computed properties PubChem CID 44472635 · XLogP 1.8 · TPSA 94 Ų · H-bond donors 3
XLogP
1.8
TPSA
94 Ų
H-bond donors
3
H-bond acceptors
5
Rotatable bonds
6
Heavy atoms
33

SMILES C1C[C@@H](N[C@@H]1CC2=CC=C(C=C2)NC(=O)[C@@H]3CCC4=NC=CC(=O)N34)[C@@H](C5=CC=CC=C5)O

Computed descriptors from PubChem (CID 44472635), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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