CAS 1310726-60-3: Upadacitinib

Description: Upadacitinib is a selective Janus kinase (JAK) inhibitor primarily used in the treatment of autoimmune diseases, such as rheumatoid arthritis. It works by modulating the immune response, thereby reducing inflammation and alleviating symptoms associated with these conditions. The chemical structure of Upadacitinib features a pyrrolidine ring and a substituted aniline, contributing to its pharmacological activity. It is typically administered orally and has a favorable pharmacokinetic profile, including good absorption and a relatively long half-life, allowing for once-daily dosing. The substance is known for its efficacy in clinical trials, demonstrating significant improvements in disease activity scores compared to placebo. Upadacitinib is also characterized by its safety profile, with common side effects including upper respiratory infections and headaches. As a small molecule drug, it represents a targeted approach in the management of chronic inflammatory diseases, offering an alternative to traditional therapies. Its development reflects ongoing advancements in precision medicine aimed at improving patient outcomes in autoimmune disorders.

Formula: C₁₇H₁₉F₃N₆O

InChI: InChI=1S/C17H19F3N6O/c1-2-10-7-25(16(27)24-9-17(18,19)20)8-11(10)13-5-22-14-6-23-15-12(26(13)14)3-4-21-15/h3-6,10-11,21H,2,7-9H2,1H3,(H,24,27)/t10-,11+/m1/s1

InChI key: InChIKey=WYQFJHHDOKWSHR-MNOVXSKESA-N

SMILES: O=C(NCC(F)(F)F)N1CC(C2=CN=C3C=NC=4NC=CC4N32)C(C1)CC

Synonyms:

• 1-Pyrrolidinecarboxamide, 3-ethyl-4-(3H-imidazo[1,2-a]pyrrolo[2,3-e]pyrazin-8-yl)-N-(2,2,2-trifluoroethyl)-, (3S,4R)-
• (3S,4R)-3-Ethyl-4-(3H-imidazo[1,2-a]pyrrolo[2,3-e]pyrazin-8-yl)-N-(2,2,2-trifluoroethyl)-1-pyrrolidinecarboxamide
• Upadacitinib
• ABT 494
• rel-(-)-(3S,4R)-3-Ethyl-4-(3H-imidazo[1,2-a]pyrrolo[2,3-e]pyrazin-8-yl)-N-(2,2,2-trifluoroethyl)pyrrolidine-1-carboxamide

Upadacitinib

CAS: 1310726-60-3

• Formula: C₁₇H₁₉F₃N₆O
• Purity: 99%
• Color and Shape: Solid
• Molecular weight: 380.3676

Upadacitinib-15N-d2

CAS: 1310726-60-3

• Formula: C₁₇H₁₇D₂F₃N₅₁₅NO
• Molecular weight: 383.38

Upadacitinib

CAS: 1310726-60-3

• Formula: C₁₇H₁₉F₃N₆O
• Color and Shape: Off-White Solid
• Molecular weight: 380.38

Upadacitinib

CAS: 1310726-60-3

• Purity: 99.92%
• Molecular weight: 380.37g/mol

(3S,4R)-3-Ethyl-4-(3H-Imidazo[1,2-A]Pyrrolo[2,3-E]Pyrazin-8-Yl)-N-(2,2,2-Trifluoroethyl)Pyrrolidine-1-Carboxamide

CAS: 1310726-60-3

• Purity: 99%
• Molecular weight: 380.37g/mol

Upadacitinib Tartrate

CAS: 1310726-60-3

• Formula: C₁₇H₁₉F₃N₆O·C₄H₆O₆
• Molecular weight: 380.38 150.09

Upadacitinib-d5

CAS: 1310726-60-3

• Formula: C₁₇H₁₄D₅F₃N₆O
• Molecular weight: 385.41

Upadacitinib

CAS: 1310726-60-3

Upadacitinib (ABT-494), a selective JAK1 inhibitor, is researched for autoimmune diseases; IC50: 43 nM.

• Formula: C₁₇H₁₉F₃N₆O
• Purity: 98.96% - 99.93%
• Color and Shape: Solid
• Molecular weight: 380.37

ABT 494

CAS: 1310726-60-3

Inhibitor of Janus kinase JAK-1

• Formula: C₁₇H₁₉F₃N₆O
• Purity: Min. 95%
• Molecular weight: 380.37 g/mol

Upadacitinib-D2,15N

CAS: 1310726-60-3

• Formula: C₁₇D₂H₁₇F₃NN₅O
• Color and Shape: Neat
• Molecular weight: 383.373