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Chemical structure of H-p-Chloro-Phe-D-Cys-β-(3-pyridyl)-Ala-D-Trp-Lys-Val-Cys-p-chloro-Phe-NH₂

GA22777

H-p-Chloro-Phe-D-Cys-β-(3-pyridyl)-Ala-D-Trp-Lys-Val-Cys-p-chloro-Phe-NH₂

Also known as (4R,7S,10S,13R,16S,19S)-10-(4-aminobutyl)-N-[(2S)-1-amino-3-(4-chlorophenyl)-1-oxopropan-2-yl]-19-[[(2S)-2-amino-3-(4-chlorophenyl)propanoyl]amino]-13-(1H-indol-3-ylmethyl)-6,9,12,15,18-pentaoxo-7-propan-2-yl-16-(pyridin-3-ylmethyl)-1,2-dithia-5,8,11,14,17-pentazacycloicosane-4-carboxamide

The urotensin ll receptor antagonist SB-710411 (Cpa-D-Cys-Pal-D-Trp-Lys-Val-Cys-Cpa-amide) showed inhibition of the urotensin receptor binding / function and also potentiated endothelin-1 induced contraction in the rat isolated aorta· Liu et al· observed that SB-710411 arrests fibrosis in CCL4 cirrhotic rats

ChemicalCAS209006-05-3MW1146.23FormulaC54H66Cl2N12O8S2
CAS number
209006-05-3
Molecular weight
1146.23
Formula
C54H66Cl2N12O8S2
Solubility
Soluble in DMSO
InChIKey
HUDNCNKRBYKWKH-RDZOQIRMSA-N
Catalogue number
GA22777
Brand
GLPBIO
Computed properties PubChem CID 9898353 · XLogP 4 · TPSA 378 Ų · H-bond donors 11
XLogP
4
TPSA
378 Ų
H-bond donors
11
H-bond acceptors
13
Rotatable bonds
18
Heavy atoms
78

SMILES CC(C)[C@H]1C(=O)N[C@@H](CSSC[C@H](C(=O)N[C@H](C(=O)N[C@@H](C(=O)N[C@H](C(=O)N1)CCCCN)CC2=CNC3=CC=CC=C32)CC4=CN=CC=C4)NC(=O)[C@H](CC5=CC=C(C=C5)Cl)N)C(=O)N[C@@H](CC6=CC=C(C=C6)Cl)C(=O)N

Computed descriptors from PubChem (CID 9898353), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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