Name: TES-991
Rating: 5 (10 reviews)

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HIT ID:HIT212670635
Cas No:1883602-20-7
常用名:TES-991
IUPAC:4-oxo-2-({[3-(1H-1,2,3,4-tetrazol-5-yl)phenyl]methyl}sulfanyl)-6-(thiophen-2-yl)-1,4-dihydropyrimidine-5-carbonitrile
IUPAC:4-oxo-2-({[3-(1H-1,2,3,4-tetrazol-5-yl)phenyl]methyl}sulfanyl)-6-(thiophen-2-yl)-1,4-dihydropyrimidine-5-carbonitrile
InChI key:VCDQAPTULMMFKX-UHFFFAOYSA-N

分子式:C17H11N7OS2
分子量:393.44
氢键供体数 (HBD):2
氢键受体数 (HBA):7
LogP:2.4477332
SMILES:O=c1nc(SCc2cccc(c2)-c2nnn[nH]2)[nH]c(-c2cccs2)c1C#N
SMILES:O=c1nc(SCc2cccc(c2)-c2nnn[nH]2)[nH]c(-c2cccs2)c1C#N

TES-991 is a potent and selective inhibitor of human α Amino-β-carboxymuconate-ε-semialdehyde Decarboxylase (ACMSD)(IC50 of 3 nM).

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