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PF-06700841 - 95%, high purity , Tyrosine-protein kinase JAK1 inhibitor, CAS No.1883299-62-4, Tyrosine-protein kinase JAK1 inhibitor
JAK2 Selective Inhibitors
Basic Description Synonyms Brepocitinib|PF-06700841 free base|PF-06700841|1883299-62-4|Brepocitinib [USAN]|3X8387Q25N|Brepocitinib (USAN)|[(1S)-2,2-difluorocyclopropyl]-[(1S,5R)-3-[2-[(1-methylpyrazol-4-yl)amino]pyrimidin-4-yl]-3,8-diazabicyclo[3.2.1]octan-8-yl]methanone|[(1S)-2,2- Specifications & Purity 95% Storage Temp Store at -20°C Shipped In Ice chest + Ice pads Grade Moligand™ Action Type INHIBITOR Mechanism of action Tyrosine-protein kinase JAK1 inhibitor
Product Properties ALogP 1.608 HBD Count 1 Rotatable Bond 4
Names and Identifiers Pubchem Sid 488202657 Pubchem Sid Url https://pubchem.ncbi.nlm.nih.gov/substance/488202657 IUPAC Name [(1S)-2,2-difluorocyclopropyl]-[(1R,5S)-3-[2-[(1-methylpyrazol-4-yl)amino]pyrimidin-4-yl]-3,8-diazabicyclo[3.2.1]octan-8-yl]methanone INCHI InChI=1S/C18H21F2N7O/c1-25-8-11(7-22-25)23-17-21-5-4-15(24-17)26-9-12-2-3-13(10-26)27(12)16(28)14-6-18(14,19)20/h4-5,7-8,12-14H,2-3,6,9-10H2,1H3,(H,21,23,24)/t12-,13+,14-/m0/s1 InChi Key BUWBRTXGQRBBHG-MJBXVCDLSA-N Canonical SMILES CN1C=C(C=N1)NC2=NC=CC(=N2)N3CC4CCC(C3)N4C(=O)C5CC5(F)F Isomeric SMILES CN1C=C(C=N1)NC2=NC=CC(=N2)N3C[C@H]4CC[C@@H](C3)N4C(=O)[C@@H]5CC5(F)F Alternate CAS 2140301-96-6 PubChem CID 118878093 Molecular Weight 389.4
Chemical and Physical Properties Solubility Solubility (25°C) In vitro DMSO: 78 mg/mL (200.3 mM); Ethanol: 78 mg/mL (200.3 mM); Water: Insoluble; DMSO(mg / mL) Max Solubility 78 DMSO(mM) Max Solubility 200.308166409861 Water(mg / mL) Max Solubility ＜1
References 1. Fensome A, Ambler CM, Arnold E, Banker ME, Brown MF, Chrencik J, Clark JD, Dowty ME, Efremov IV, Flick A et al. . (2018) Dual Inhibition of TYK2 and JAK1 for the Treatment of Autoimmune Diseases: Discovery of (( S)-2,2-Difluorocyclopropyl)((1 R,5 S)-3-(2-((1-methyl-1 H-pyrazol-4-yl)amino)pyrimidin-4-yl)-3,8-diazabicyclo[3.2.1]octan-8-yl)methanone (PF-06700841).. J Med Chem, 61 (19): (8597-8612). [PMID:30113844 ]
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C2320305