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Details

Stereochemistry ACHIRAL
Molecular Formula C26H23F4N9O
Molecular Weight 553.5141
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of ITACITINIB

SMILES

FC1=C(C=CN=C1C(F)(F)F)C(=O)N2CCC(CC2)N3CC(CC#N)(C3)N4C=C(C=N4)C5=NC=NC6=C5C=CN6

InChI

InChIKey=KTBSXLIQKWEBRB-UHFFFAOYSA-N
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)

HIDE SMILES / InChI

Description

INCB-039110 (also known as Itacitinib) is an orally bioavailable inhibitor of Janus-associated kinase 1 (JAK1) with potential antineoplastic activity patented by Incyte Corporation for treatment of autoimmune disorders and cancer. Upon oral administration of NCB-039110, this agent selectively inhibits the phosphorylation and activity of JAK1, which may result in inhibition of JAK1-mediated signaling, induction of apoptosis, and reduction of cell proliferation in JAK1-expressing tumor cells. INCB-039110 in combination with nab-paclitaxel plus gemcitabine demonstrated an acceptable safety profile with clinical activity seen in patients with advanced solid tumors including pancreatic cancers. Based on the potential for additive or synergistic effects, NCB-039110 is currently being explored in combination with immunotherapeutic agents including the anti-programmed cell death protein 1 antibody and small molecule inhibitors.

Originator

Approval Year

Targets

Primary TargetPharmacologyConditionPotency
8.3 null [pIC50]

PubMed

Sample Use Guides

In Vivo Use Guide
300 mg once daily
Route of Administration: Oral