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Chemical structure of A-192621

GC60544

A-192621

Also known as (2R,3R,4S)-4-(1,3-benzodioxol-5-yl)-1-[2-(2,6-diethylanilino)-2-oxoethyl]-2-(4-propoxyphenyl)pyrrolidine-3-carboxylic acid

A-192621 is a potent, nonpeptide, orally active and selective endothelin B (ETB) receptor antagonist with an IC50 of 4·5 nM and a Ki of 8·8 nM

ChemicalCAS195529-54-5MW558.66FormulaC33H38N2O6
CAS number
195529-54-5
Molecular weight
558.66
Formula
C33H38N2O6
Solubility
DMSO ： ≥ 100 mg/mL (179·00 mM)
InChIKey
LQEHCKYYIXQEBM-FUKIBTTHSA-N
Catalogue number
GC60544
Brand
GLPBIO
Computed properties PubChem CID 5310991 · XLogP 3.7 · TPSA 97.3 Ų · H-bond donors 2
XLogP
3.7
TPSA
97.3 Ų
H-bond donors
2
H-bond acceptors
7
Rotatable bonds
11
Heavy atoms
41

SMILES CCCOC1=CC=C(C=C1)[C@H]2[C@@H]([C@H](CN2CC(=O)NC3=C(C=CC=C3CC)CC)C4=CC5=C(C=C4)OCO5)C(=O)O

Computed descriptors from PubChem (CID 5310991), 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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