Name: Etamicastat
Rating: 5 (10 reviews)

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HIT ID:HIT212670781
Cas No:760173-05-5
常用名:Etamicastat
别名:BIA 5-453
IUPAC:5-(2-aminoethyl)-1-[(3R)-6,8-difluoro-3,4-dihydro-2H-1-benzopyran-3-yl]-2,3-dihydro-1H-imidazole-2-thione
IUPAC:5-(2-aminoethyl)-1-[(3R)-6,8-difluoro-3,4-dihydro-2H-1-benzopyran-3-yl]-2,3-dihydro-1H-imidazole-2-thione
InChI key:CWWWTTYMUOYSQA-LLVKDONJSA-N

分子式:C14H15F2N3OS
分子量:311.35
氢键供体数 (HBD):2
氢键受体数 (HBA):2
LogP:1.6925803
SMILES:NCCc1c[nH]c(=S)n1[C@H]1COc2c(F)cc(F)cc2C1
SMILES:NCCc1c[nH]c(=S)n1[C@H]1COc2c(F)cc(F)cc2C1

Etamicastat can be used in the research of cardiovascular diseases. Etamicastat (BIA 5-453) is a potent and reversible dopamine-β-hydroxylase (DBH) inhibitor with an IC50 value of 107 nM.

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