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Chemical structure of BQ-123

GC15887

BQ-123

Also known as 2-[(3R,6R,9S,12R,15S)-6-(1H-indol-3-ylmethyl)-9-(2-methylpropyl)-2,5,8,11,14-pentaoxo-12-propan-2-yl-1,4,7,10,13-pentazabicyclo[13.3.0]octadecan-3-yl]acetic acid

BQ-123 is a highly potent and selective endothelin A (ETA) receptor antagonist with an IC50 value of 7·3nM and a Ki value of 25nM

ChemicalCAS136553-81-6MW611FormulaC31H42N6O7
CAS number
136553-81-6
Molecular weight
611
Formula
C31H42N6O7
Solubility
DMF： 1 mg/ml,DMSO： 20 mg/ml,DMSO：PBS (pH 7·2) (1：2)： 0·33 mg/ml,PBS (pH 7·2)： slightly
InChIKey
VYCMAAOURFJIHD-PJNXIOHISA-N
Catalogue number
GC15887
Brand
GLPBIO
Computed properties PubChem CID 443289 · XLogP 2.2 · TPSA 190 Ų · H-bond donors 6
XLogP
2.2
TPSA
190 Ų
H-bond donors
6
H-bond acceptors
7
Rotatable bonds
7
Heavy atoms
44

SMILES CC(C)C[C@H]1C(=O)N[C@@H](C(=O)N[C@@H](C(=O)N2CCC[C@H]2C(=O)N[C@@H](C(=O)N1)C(C)C)CC(=O)O)CC3=CNC4=CC=CC=C43

Computed descriptors from PubChem (CID 443289), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

Ordering in Israel

Lead time
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