Name: Verubecestat tosylate
Rating: 5 (10 reviews)

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sdf 文件

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HIT ID:HIT220913373
Cas No:
常用名:Verubecestat tosylate
IUPAC:4-methylbenzene-1-sulfonic acid; N-{3-[(5R)-3-amino-2,5-dimethyl-1,1-dioxo-5,6-dihydro-2H-1lambda6,2,4-thiadiazin-5-yl]-4-fluorophenyl}-5-fluoropyridine-2-carboxamide
IUPAC:4-methylbenzene-1-sulfonic acid; N-{3-[(5R)-3-amino-2,5-dimethyl-1,1-dioxo-5,6-dihydro-2H-1lambda6,2,4-thiadiazin-5-yl]-4-fluorophenyl}-5-fluoropyridine-2-carboxamide
InChI key:InChIKey=RSWMWMPZBUABOZ-LMOVPXPDSA-N

分子式:C24H25F2N5O6S2
分子量:581.61
氢键供体数 (HBD):
氢键受体数 (HBA):
LogP:
SMILES:Cc1ccc(cc1)S(O)(=O)=O.CN1C(N)=N[C@@](C)(CS1(=O)=O)c1cc(NC(=O)c2ccc(F)cn2)ccc1F
SMILES:Cc1ccc(cc1)S(O)(=O)=O.CN1C(N)=N[C@@](C)(CS1(=O)=O)c1cc(NC(=O)c2ccc(F)cn2)ccc1F

Verubecestat tosylate, also known as MK-8931 or SCH 900931, is a potent and selective beta-secretase inhibitor, and BACE1 protein inhibitor or Beta-site APP-cleaving enzyme 1 inhibitor. Verubecestat tosylate is a promising novel therapeutic drug candidate in Alzheimer's disease. Verubecestat tosylate reduced Aβ cerebral spinal fluids (CSF) levels up to 92% and was well tolerated by patients.

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