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

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HIT ID:HIT220921768
Cas No:2410279-95-5
常用名:Tauroursodeoxycholate-d4 sodium
IUPAC:sodium 2-[(4R)-4-[(1R,3aS,3bR,4S,5aR,7R,9aS,9bS,11aR)-4,7-dihydroxy-9a,11a-dimethyl-hexadecahydro(6,6,8,8-2H4)-1H-cyclopenta[a]phenanthren-1-yl]pentanamido]ethane-1-sulfonate
IUPAC:sodium 2-[(4R)-4-[(1R,3aS,3bR,4S,5aR,7R,9aS,9bS,11aR)-4,7-dihydroxy-9a,11a-dimethyl-hexadecahydro(6,6,8,8-2H4)-1H-cyclopenta[a]phenanthren-1-yl]pentanamido]ethane-1-sulfonate
InChI key:InChIKey=IYPNVUSIMGAJFC-OICBMEOSSA-M

分子式:C26H44NNaO6S
分子量:525.71
氢键供体数 (HBD):
氢键受体数 (HBA):
LogP:
SMILES:[Na+].[H][C@@]1(CC[C@@]2([H])[C@]3([H])[C@@H](O)C[C@]4([H])C([2H])([2H])[C@H](O)C([2H])([2H])C[C@]4(C)[C@@]3([H])CC[C@]12C)[C@H](C)CCC(=O)NCCS([O-])(=O)=O
SMILES:[Na+].[H][C@@]1(CC[C@@]2([H])[C@]3([H])[C@@H](O)C[C@]4([H])C([2H])([2H])[C@H](O)C([2H])([2H])C[C@]4(C)[C@@]3([H])CC[C@]12C)[C@H](C)CCC(=O)NCCS([O-])(=O)=O

Tauroursodeoxycholate-d4 (sodium) 是 Tauroursodeoxycholate sodium 的氘代物。Tauroursodeoxycholate (Tauroursodeoxycholic acid; TUDCA) sodium 作为内质网应激抑制剂，可显著降低凋亡分子如 caspase-3 和 caspase-12 的表达，并抑制 ERK。

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