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Chemical structure of Pentagastrin (ICI-50123)

GC32776

Pentagastrin (ICI-50123)

Also known as 4-[(1-amino-1-oxo-3-phenylpropan-2-yl)amino]-3-[[2-[[3-(1H-indol-3-yl)-2-[3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoylamino]propanoyl]amino]-4-methylsulfanylbutanoyl]amino]-4-oxobutanoic acid

Pentagastrin (ICI-50123) (ICI-50123) is a potent, selective Cholecystokinin B (CCKB) receptor antagonists with IC50 values of 11 nM and 1100 nM for CCKB and CCKA, respectively

ChemicalCAS5534-95-2MW767.89FormulaC37H49N7O9S
CAS number
5534-95-2
Molecular weight
767.89
Formula
C37H49N7O9S
Solubility
DMSO : ≥ 34 mg/mL (44·28 mM)
InChIKey
NEYNJQRKHLUJRU-UHFFFAOYSA-N
Catalogue number
GC32776
Brand
GLPBIO
Computed properties PubChem CID 4734 · XLogP 1.5 · TPSA 276 Ų · H-bond donors 8
XLogP
1.5
TPSA
276 Ų
H-bond donors
8
H-bond acceptors
10
Rotatable bonds
22
Heavy atoms
54

SMILES CC(C)(C)OC(=O)NCCC(=O)NC(CC1=CNC2=CC=CC=C21)C(=O)NC(CCSC)C(=O)NC(CC(=O)O)C(=O)NC(CC3=CC=CC=C3)C(=O)N

Computed descriptors from PubChem (CID 4734), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

Ordering in Israel

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Pricing
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Documents
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