Name: TD-0212 TFA
Rating: 5 (10 reviews)

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HIT ID:HIT212670614
Cas No:1073549-11-7
常用名:TD-0212 TFA
IUPAC:4'-[(2-ethoxy-4-ethyl-5-{[(2S)-4-methyl-2-sulfanylpentanamido]methyl}-1H-imidazol-1-yl)methyl]-3'-fluoro-[1,1'-biphenyl]-2-carboxylic acid; trifluoroacetic acid
IUPAC:4'-[(2-ethoxy-4-ethyl-5-{[(2S)-4-methyl-2-sulfanylpentanamido]methyl}-1H-imidazol-1-yl)methyl]-3'-fluoro-[1,1'-biphenyl]-2-carboxylic acid; trifluoroacetic acid
InChI key:HYFVVNVEHLLCLR-UQIIZPHYSA-N

分子式:C30H35F4N3O6S
分子量:641.68
氢键供体数 (HBD):3
氢键受体数 (HBA):5
LogP:5.263534
SMILES:OC(=O)C(F)(F)F.CCOc1nc(CC)c(CNC(=O)[C@@H](S)CC(C)C)n1Cc1ccc(cc1F)-c1ccccc1C(O)=O
SMILES:OC(=O)C(F)(F)F.CCOc1nc(CC)c(CNC(=O)[C@@H](S)CC(C)C)n1Cc1ccc(cc1F)-c1ccccc1C(O)=O

TD-0212 TFA is an orally active dual pharmacology antagonist of angiotensin II type 1 receptor (AT1) and inhibitor of neprilysin (NEP)(pKi of 8.9 for AT1 and a pIC50 of 9.2 for NEP).

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