Name: Apratastat
Rating: 5 (10 reviews)

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HIT ID:HIT212669354
Cas No:287405-51-0
常用名:Apratastat
IUPAC:(3S)-N-hydroxy-4-{4-[(4-hydroxybut-2-yn-1-yl)oxy]benzenesulfonyl}-2,2-dimethylthiomorpholine-3-carboxamide
IUPAC:(3S)-N-hydroxy-4-{4-[(4-hydroxybut-2-yn-1-yl)oxy]benzenesulfonyl}-2,2-dimethylthiomorpholine-3-carboxamide
InChI key:MAVDNGWEBZTACC-HNNXBMFYSA-N

分子式:C17H22N2O6S2
分子量:414.49
氢键供体数 (HBD):3
氢键受体数 (HBA):6
LogP:0.5391767
SMILES:CC1(C)SCCN([C@H]1C(=O)NO)S(=O)(=O)c1ccc(OCC#CCO)cc1
SMILES:CC1(C)SCCN([C@H]1C(=O)NO)S(=O)(=O)c1ccc(OCC#CCO)cc1

Apratastat is an orally active, potent, and reversible dual inhibitor of tumor necrosis factor-α converting enzyme (TACE) and matrix metalloproteinases (MMPs) and it also can potently inhibit the release of TNF-α in vitro, ex vivo, and in vivo with IC50s of 144 ng/mL in vitro and 81.7 ng/mL ex vivo, respectively[1].

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