Name: N3PT
Rating: 5 (10 reviews)

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HIT ID:HIT212666191
Cas No:13860-66-7
常用名:N3PT
别名:N3-pyridyl thiamine
IUPAC:3-[(2-amino-6-methylpyridin-3-yl)methyl]-5-(2-hydroxyethyl)-4-methyl-1,3-thiazol-3-ium hydrochloride chloride
IUPAC:3-[(2-amino-6-methylpyridin-3-yl)methyl]-5-(2-hydroxyethyl)-4-methyl-1,3-thiazol-3-ium hydrochloride chloride
InChI key:ZLGKCAQWOASSTP-UHFFFAOYSA-M

分子式:C13H19Cl2N3OS
分子量:336.28
氢键供体数 (HBD):2
氢键受体数 (HBA):3
LogP:-2.6757286
SMILES:Cl.[Cl-].Cc1c(CCO)sc[n+]1Cc1ccc(C)nc1N
SMILES:Cl.[Cl-].Cc1c(CCO)sc[n+]1Cc1ccc(C)nc1N

N3PT is a potent and selective inhibitor of transketolase(TK) with IC50 of 22 nM for Apo-TK)

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