Name: A-192621
Rating: 5 (10 reviews)

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类似物检索

HIT ID:HIT212667221
Cas No:195529-54-5
常用名:A-192621
IUPAC:(2R,3R,4S)-4-(2H-1,3-benzodioxol-5-yl)-1-{[(2,6-diethylphenyl)carbamoyl]methyl}-2-(4-propoxyphenyl)pyrrolidine-3-carboxylic acid
IUPAC:(2R,3R,4S)-4-(2H-1,3-benzodioxol-5-yl)-1-{[(2,6-diethylphenyl)carbamoyl]methyl}-2-(4-propoxyphenyl)pyrrolidine-3-carboxylic acid
InChI key:LQEHCKYYIXQEBM-FUKIBTTHSA-N

分子式:C33H38N2O6
分子量:558.675
氢键供体数 (HBD):2
氢键受体数 (HBA):7
LogP:3.385
SMILES:CCCOc1ccc(cc1)[C@H]1[C@@H]([C@H](CN1CC(=O)Nc1c(CC)cccc1CC)c1ccc2OCOc2c1)C(O)=O
SMILES:CCCOc1ccc(cc1)[C@H]1[C@@H]([C@H](CN1CC(=O)Nc1c(CC)cccc1CC)c1ccc2OCOc2c1)C(O)=O

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. A-192621 promotes apoptosis in PASMCs and it also causes elevation of arterial blood pressure and an elevation in the plasma ET-1 level[1][2][3]. The selectivity of A-192621 is 636-fold higher than ETA (IC50 of 4280 nM and Ki of 5600 nM).

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