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Chemical structure of CCK-B Receptor Antagonist 2

GC38746

CCK-B Receptor Antagonist 2

Also known as 1-(3-aminophenyl)-3-[(3R)-1-(3,3-dimethyl-2-oxobutyl)-2-oxo-5-pyridin-2-yl-3H-1,4-benzodiazepin-3-yl]urea

CCK-B Receptor Antagonist 2, compound 15b, is a potent and orally active Gastrin/CCK-B antagonist with an IC50 value of 0·43 nM

ChemicalCAS155412-88-7MW484.55FormulaC27H28N6O3
CAS number
155412-88-7
Molecular weight
484.55
Formula
C27H28N6O3
Solubility
DMSO： 250 mg/mL (515·94 mM)
InChIKey
ABJHMASUFPDZRW-DEOSSOPVSA-N
Catalogue number
GC38746
Brand
GLPBIO
Computed properties PubChem CID 23844130 · XLogP 3.2 · TPSA 130 Ų · H-bond donors 3
XLogP
3.2
TPSA
130 Ų
H-bond donors
3
H-bond acceptors
6
Rotatable bonds
6
Heavy atoms
36

SMILES CC(C)(C)C(=O)CN1C2=CC=CC=C2C(=N[C@H](C1=O)NC(=O)NC3=CC=CC(=C3)N)C4=CC=CC=N4

Computed descriptors from PubChem (CID 23844130), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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