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Upadacitinib

CAS 1310726-60-3C17H19F3N6OMW 380.4

Upadacitinib (CAS 1310726-60-3) — formula C17H19F3N6O, molecular weight 380.4; category organic chemicals.

Product Overview

CAS Number1310726-60-3
Molecular FormulaC17H19F3N6O
Molecular Weight380.4
Melting Point16-19
Boiling Point189
LogP2.7
CategoryOrganic Chemicals

Technical Profile

What this product is

Upadacitinib is a carbon-based organic compound with CAS registry number 1310726-60-3 and molecular formula C17H19F3N6O (molecular weight 380.4), belonging to the organic chemicals segment of chemical raw materials.

Identification

CAS number: 1310726-60-3

Its molecular formula C17H19F3N6O comprises 17 C, 19 H, 3 F, 6 N, 1 O atoms.

Also known as: Upadacitinib · 乌帕替尼

Category: organic chemicals

Frequently Asked Questions

What is the CAS number of Upadacitinib?

The CAS registry number of Upadacitinib is 1310726-60-3.

What is the molecular formula and molecular weight of Upadacitinib?

Molecular formula C17H19F3N6O, molecular weight 380.4.

What other names is Upadacitinib known by?

It is also registered under: Upadacitinib, 乌帕替尼.

Which category does Upadacitinib belong to?

Category: Organic Chemicals.

PubChem Public Data

Independent reference data for Upadacitinib (CAS 1310726-60-3), compiled from public chemistry databases.

Registry identifiers across databases

CAS Registry Number1310726-60-3
PubChem CID58557659
Molecular formulaC17H19F3N6O
IUPAC name(3S,4R)-3-ethyl-4-(1,5,7,10-tetrazatricyclo[7.3.0.02,6]dodeca-2(6),3,7,9,11-pentaen-12-yl)-N-(2,2,2-trifluoroethyl)pyrrolidine-1-carboxamide
UNII (FDA)4RA0KN46E0

Computed descriptors

Molecular Weight380.4
XLogP32.7
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count6
Rotatable Bond Count3
Exact Mass380.15724374
Monoisotopic Mass380.15724374
Topological Polar Surface Area78.3
Heavy Atom Count27

Physicochemical values on record

Boiling Point189
Melting Point16-19

Documented uses on record

    Upadacitinib is a new FDA-approved second-line agent for treating moderate to severe active rheumatoid arthritis (RA) in patients who have not shown an adequate response or intolerance to the first-line agent, methotrexate. This agent is a second-generation selective Janus kinase (JAK) inhibitor targeting the JAK1 enzyme. Upadacitinib received FDA approval on August 16, 2019, based on positive and promising results from its multinational phase III trials in subjects with moderate to severe rheumatoid arthritis.Upadacitinib is an oral selective inhibitor of Janus associated kinase 1 (JAK-1) that is used in the therapy of moderate-to-severe rheumatoid arthritis. Upadacitinib has been associated with a low rate of serum enzyme elevations during therapy, but has not been linked to cases of clinically apparent acute liver injury although it may pose a risk for reactivation of hepatitis B in susceptible patients.

    Synonyms and trade names

    Upadacitinib; 1310726-60-3; ABT-494; Upadacitinib anhydrous; 4RA0KN46E0; DTXSID901027919; upadacitinibum; RefChem:57163; L04AA44; DTXCID401513480; Rinvoq; ABT 494; EX-A1628; DB15091; ABBV-599 COMPONENT UPADACITINIB; UNII-4RA0KN46E0

    What the public record says

    Upadacitinib · CAS 1310726-60-3 · C17H19F3N6O. UNII 4RA0KN46E0. Boiling Point: 189; Melting Point: 16-19.

    Source: PubChem / Wikidata; the batch COA governs where values differ.

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