Name: Obeticholic acid-d5
Rating: 5 (10 reviews)

有库存

sdf 文件

结构编辑

类似物检索

HIT ID:HIT220921914
Cas No:1992000-80-2
常用名:Obeticholic acid-d5
IUPAC:(4R)-4-[(1R,3aS,3bS,4R,5aS,7R,9aS,9bS,11aR)-5-[(1,1,2,2,2-2H5)ethyl]-4,7-dihydroxy-9a,11a-dimethyl-hexadecahydro-1H-cyclopenta[a]phenanthren-1-yl]pentanoic acid
IUPAC:(4R)-4-[(1R,3aS,3bS,4R,5aS,7R,9aS,9bS,11aR)-5-[(1,1,2,2,2-2H5)ethyl]-4,7-dihydroxy-9a,11a-dimethyl-hexadecahydro-1H-cyclopenta[a]phenanthren-1-yl]pentanoic acid
InChI key:InChIKey=ZXERDUOLZKYMJM-GFTVXENQSA-N

分子式:C26H44O4
分子量:425.665
氢键供体数 (HBD):
氢键受体数 (HBA):
LogP:
SMILES:[H][C@@]1(CC[C@@]2([H])[C@]3([H])[C@H](O)C(C([2H])([2H])C([2H])([2H])[2H])[C@]4([H])C[C@H](O)CC[C@]4(C)[C@@]3([H])CC[C@]12C)[C@H](C)CCC(O)=O
SMILES:[H][C@@]1(CC[C@@]2([H])[C@]3([H])[C@H](O)C(C([2H])([2H])C([2H])([2H])[2H])[C@]4([H])C[C@H](O)CC[C@]4(C)[C@@]3([H])CC[C@]12C)[C@H](C)CCC(O)=O

Obeticholic acid-d5是Obeticholic acid的氘代物。Obeticholic acid (INT-747) 是一种高效、选择性且口服活性的FXR激动剂，EC50为99 nM，具有抗胆碱和抗炎性质。Obeticholic acid 还能够诱导细胞自噬 (autophagy)。

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