Name: Upadacitinib tartrate
Rating: 5 (10 reviews)

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HIT ID:HIT214318181
Cas No:1607431-21-9
常用名:Upadacitinib tartrate
别名:ABT-494, ABT494, ABT 494
IUPAC:(2R,3R)-2,3-dihydroxybutanedioic acid (3S,4R)-3-ethyl-4-{1,5,7,10-tetraazatricyclo[7.3.0.0^{2,6}]dodeca-2(6),3,7,9,11-pentaen-12-yl}-N-(2,2,2-trifluoroethyl)pyrrolidine-1-carboxamide tetrahydrate
IUPAC:(2R,3R)-2,3-dihydroxybutanedioic acid (3S,4R)-3-ethyl-4-{1,5,7,10-tetraazatricyclo[7.3.0.0^{2,6}]dodeca-2(6),3,7,9,11-pentaen-12-yl}-N-(2,2,2-trifluoroethyl)pyrrolidine-1-carboxamide tetrahydrate
InChI key:LATZVDXOTDYECD-ARKNDKGZSA-N

分子式:C21H33F3N6O11
分子量:602.521
氢键供体数 (HBD):
氢键受体数 (HBA):
LogP:
SMILES:O.O.O.O.O[C@H]([C@@H](O)C(O)=O)C(O)=O.CC[C@@H]1CN(C[C@@H]1c1cnc2cnc3[nH]ccc3n12)C(=O)NCC(F)(F)F
SMILES:O.O.O.O.O[C@H]([C@@H](O)C(O)=O)C(O)=O.CC[C@@H]1CN(C[C@@H]1c1cnc2cnc3[nH]ccc3n12)C(=O)NCC(F)(F)F

Upadacitinib is a potent and selective JAK inhibitor. Upadacitinib is approximately 74 fold selective for Jak1 over Jak2 in cellular assays dependent on specific, relevant cytokines. Upadacitinib demonstrates efficacy in rat arthritis models.

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