Name: SW106
Rating: 5 (10 reviews)

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sdf 文件

结构编辑

类似物检索

HIT ID:HIT212713758
Cas No:933452-76-7
常用名:SW106
IUPAC:(3S,5S)-5-[(1E)-2-cyclopropylethenyl]-6,7-difluoro-3-methyl-5-(trifluoromethyl)-1,2,3,5-tetrahydro-4,1-benzoxazepin-2-one
IUPAC:(3S,5S)-5-[(1E)-2-cyclopropylethenyl]-6,7-difluoro-3-methyl-5-(trifluoromethyl)-1,2,3,5-tetrahydro-4,1-benzoxazepin-2-one
InChI key:YLCLGDNMRKSMDS-CJGUPOHFSA-N

分子式:C16H14F5NO2
分子量:347.285
氢键供体数 (HBD):1
氢键受体数 (HBA):2
LogP:3.9666088
SMILES:C[C@@H]1O[C@@](\C=C\C2CC2)(c2c(NC1=O)ccc(F)c2F)C(F)(F)F
SMILES:C[C@@H]1O[C@@](\C=C\C2CC2)(c2c(NC1=O)ccc(F)c2F)C(F)(F)F

SW106 is a selective antagonist of PTHR1-mediated cAMP signaling, not functioning as an inverse agonist on either PTHR1-T410P or PTHR1-H223R, which have activating mutations at the cytoplasmic ends of TMD helices-2 and -6, respectively.

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