INCB39110 - CAS 1334298-90-6

Itacitinib(cas# 1334298-90-6), also known as INCB39110 or INCB039110, is a potent JAK1 tyrosine kinase inhibitor, which is currently in Phase II trials for the treatment of rheumatoid arthritis, myelofibrosis, rheumatoid arthritis and plaque psoriasis. INCB039110 produced significant improvements in sPGA, demonstrating proof of concept in chronic plaque psoriasis.

Catalog Number: I001276

CAS Number: 1334298-90-6

PubChem Substance ID:355037035

Molecular Formula: C₂₆H₂₃F₄N₉O

Molecular Weight:553.51

Purity: ≥95%

* For research use only. Not for human or veterinary use.

Synonym

SynonymsItacitinib;INCB039110 ;INCB39110;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

Property

Molecular Formula: C₂₆H₂₃F₄N₉O
Molecular Weight553.51
Target:JAK1 inhibitor
SolubilitySoluble in DMSO, not in water
Purity≥95%
StorageStore at -20°C

Computed Descriptor

InChIInChI=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)
InChIKeyKTBSXLIQKWEBRB-UHFFFAOYSA-N
SMILESC1CN(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