Name | Brepocitinib ( PF-06700841 ) |
Iupac Chemical Name | ((S)-2,2-difluorocyclopropyl)((1R,5S)-3-(2-((1-methyl-1H-pyrazol-4-yl)amino)pyrimidin-4-yl)-3,8-diazabicyclo[3.2.1]octan-8-yl)methanone |
Synonyms | PF-06700841 ; PF 06700841 ; PF06700841 ; Brepocitinib |
Molecular Formula | C18H21F2N7O |
Molecular Weight | 389.40 |
Smile | O=C([C@H]1C(F)(F)C1)N2[C@@]3([H])CN(C4=NC(NC5=CN(C)N=C5)=NC=C4)C[C@]2([H])CC3 |
InChiKey | BUWBRTXGQRBBHG-MJBXVCDLSA-N |
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 |
CAS Number | 1883299-62-4 |
Related CAS | 2140301-96-6 (tosylate) 1883299-62-4 (free base) |