Name: NBC 19
Rating: 5 (10 reviews)

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sdf 文件

结构编辑

类似物检索

HIT ID:HIT214322148
Cas No:2068818-75-5
常用名:NBC 19
IUPAC:5-acetyl-2,2-bis(benzen-1-uid-1-yl)-6-(cyclohexylamino)-4-(trichloromethyl)-2,5-dihydro-1lambda3,3lambda4,2lambda7-oxazaborinine-2,2,2-tris(ylium)-5-id-3-yl
IUPAC:5-acetyl-2,2-bis(benzen-1-uid-1-yl)-6-(cyclohexylamino)-4-(trichloromethyl)-2,5-dihydro-1lambda3,3lambda4,2lambda7-oxazaborinine-2,2,2-tris(ylium)-5-id-3-yl
InChI key:RHFQWHOGWQCQDZ-UHFFFAOYSA-N

分子式:C24H25BCl3N2O2
分子量:490.64
氢键供体数 (HBD):
氢键受体数 (HBA):
LogP:
SMILES:CC(=O)[C-]1C(NC2CCCCC2)=[O][B+3]([N]=C1C(Cl)(Cl)Cl)([C-]1=CC=CC=C1)[C-]1=CC=CC=C1 |c:12,15,24,26,31,33,t:22,29,^1:14|
SMILES:CC(=O)[C-]1C(NC2CCCCC2)=[O][B+3]([N]=C1C(Cl)(Cl)Cl)([C-]1=CC=CC=C1)[C-]1=CC=CC=C1 |c:12,15,24,26,31,33,t:22,29,^1:14|

Potent NLRP3 inflammasome inhibitor (IC50 = 60-80 nM). Inhibits nigericin- and ATP-induced IL-1β release.

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