Alternate Names 2-(3-(4-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-1H-pyrazol-1-yl)-1-(1-(3-fluoro-2-(trifluoromethyl)isonicotinoyl)piperidin-4-yl)azetidin-3-yl)acetonitrile; Itacitinib; INCB039110
Appearance Crystalline solid
CAS # 1334298-90-6
Molecular Formula C₂₆H₂₃F₄N₉O
Molecular Weight 553.51
Purity ≥ 98% by HPLC
Solubility DMSO
SMILES C1CN(CCC1N2CC(C2)(CC#N)N3C=C(C=N3)C4=C5C=CNC5=NC=N4)C(=O)C6=C(C(=NC=C6)C(F)(F)F)F
InChi InChI=1S/C26H23F4N9O/c27-20-18(1-7-32-22(20)26(28,29)30)24(40)37-9-3-17(4-10-37)38-13-25(14-38,5-6-31)39-12-16(11-36-39)21-19-2-8-33-23(19)35-15-34-21/h1-2,7-8,11-12,15,17H,3-5,9-10,13-14H2,(H,33,34,35)
InChi Key KTBSXLIQKWEBRB-UHFFFAOYSA-N
PubChem CID 53380437
Storage Conditions -20°C
Shipping Conditions Gel Pack
Usage For Research Use Only! Not For Use in Humans.
Handling Do not take it internally. Wear a glove and mask when handling the product. Protect from air and moisture.
