Name: Tauroursodeoxycholate-d4-1
Rating: 5 (10 reviews)

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sdf 文件

结构编辑

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HIT ID:HIT220921822
Cas No:2573035-17-1
常用名:Tauroursodeoxycholate-d4-1
别名:牛磺熊脱氧胆酸-d4-1
IUPAC:2-[(4R)-4-[(1R,3aS,3bR,4S,5aS,7R,9aS,9bS,11aR)-4,7-dihydroxy-9a,11a-dimethyl-hexadecahydro-1H-cyclopenta[a]phenanthren-1-yl]pentanamido](2H4)ethane-1-sulfonic acid
IUPAC:2-[(4R)-4-[(1R,3aS,3bR,4S,5aS,7R,9aS,9bS,11aR)-4,7-dihydroxy-9a,11a-dimethyl-hexadecahydro-1H-cyclopenta[a]phenanthren-1-yl]pentanamido](2H4)ethane-1-sulfonic acid
InChI key:InChIKey=BHTRKEVKTKCXOH-YXQIXPMFSA-N

分子式:C26H45NO6S
分子量:503.73
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@]4([H])C[C@H](O)CC[C@]4(C)[C@@]3([H])CC[C@]12C)[C@H](C)CCC(=O)NC([2H])([2H])C([2H])([2H])S(O)(=O)=O
SMILES:[H][C@@]1(CC[C@@]2([H])[C@]3([H])[C@@H](O)C[C@]4([H])C[C@H](O)CC[C@]4(C)[C@@]3([H])CC[C@]12C)[C@H](C)CCC(=O)NC([2H])([2H])C([2H])([2H])S(O)(=O)=O

Tauroursodeoxycholate-d4-1 是 Tauroursodeoxycholate 的氘代物。Tauroursodeoxycholate (Tauroursodeoxycholic acid) 作为一种内质网应激抑制剂，显著降低凋亡分子caspase-3和caspase-12的表达，并且能够抑制ERK。

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