Name: Saridegib
Rating: 5 (10 reviews)

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sdf 文件

结构编辑

类似物检索

HIT ID:HIT212673108
Cas No:1037210-93-7
常用名:Saridegib
别名:Patidegib, IPI-926
IUPAC:N-[(3R,3'R,3'aS,4aR,6'S,6aR,6bS,7'aR,9S,12aS,12bS)-3',6',11,12b-tetramethyl-2,3,3'a,4,4',4a,5,5',6,6',6a,6b,7,7',7'a,8,10,12,12a,12b-icosahydro-1H,3'H-spiro[azuleno[2,1-a]naphthalene-9,2'-furo[3,2-b]pyridin]-3-yl]methanesulfonamide
IUPAC:N-[(3R,3'R,3'aS,4aR,6'S,6aR,6bS,7'aR,9S,12aS,12bS)-3',6',11,12b-tetramethyl-2,3,3'a,4,4',4a,5,5',6,6',6a,6b,7,7',7'a,8,10,12,12a,12b-icosahydro-1H,3'H-spiro[azuleno[2,1-a]naphthalene-9,2'-furo[3,2-b]pyridin]-3-yl]methanesulfonamide
InChI key:HZLFFNCLTRVYJG-WWGOJCOQSA-N

分子式:C29H48N2O3S
分子量:504.77
氢键供体数 (HBD):2
氢键受体数 (HBA):4
LogP:3.5654418
SMILES:[H][C@@]12C[C@H](C)CN[C@@]1([H])[C@@H](C)[C@@]1(CC[C@]3([H])C(C[C@@]4([H])[C@@]3([H])CC[C@]3([H])C[C@@H](CC[C@]43C)NS(C)(=O)=O)=C(C)C1)O2 |t:40|
SMILES:[H][C@@]12C[C@H](C)CN[C@@]1([H])[C@@H](C)[C@@]1(CC[C@]3([H])C(C[C@@]4([H])[C@@]3([H])CC[C@]3([H])C[C@@H](CC[C@]43C)NS(C)(=O)=O)=C(C)C1)O2 |t:40|

Saridegib is an effective and specific inhibitor of Smoothened and a key signaling transmembrane protein in the Hedgehog pathway.

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