Itacitinib (INCB39110) Chemical Structure (2D and 3D)

2D Structure

loading...

2D chemical structural formula diagram.

3D Structure

loading...

This 3D model represents a theoretically simulated conformation and is for reference only.

Check the Itacitinib (INCB39110) product page for in-depth specifications, including solubility, stock solutions, MOA, and working concentrations.

Chemical Information

IUPAC Name	2-[1-[1-[3-fluoro-2-(trifluoromethyl)pyridine-4-carbonyl]piperidin-4-yl]-3-[4-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)pyrazol-1-yl]azetidin-3-yl]acetonitrile
CAS Number	1334298-90-6
Molecular Formula	C₂₆H₂₃F₄N₉O
Molecular Weight (MW)	553.51
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
InChIKey	KTBSXLIQKWEBRB-UHFFFAOYSA-N

Concentration Volume Mass

Batch:

All in vitro solubility values are batch-tested experimental data (non-literature values).

Solvent	Solubility & Note
DMSO	100 mg/mL (180.66 mM) (Moisture-contaminated DMSO may reduce solubility. Use fresh, anhydrous DMSO. The recommended stock concentration is 10 mM in DMSO.)
Ethanol	100 mg/mL
Water	Insoluble
DMSO	100 mg/mL (180.66 mM) (Moisture-contaminated DMSO may reduce solubility. Use fresh, anhydrous DMSO. The recommended stock concentration is 10 mM in DMSO.)
Ethanol	100 mg/mL
Water	Insoluble

FAQ

Q: Why does a DMSO stock precipitate in media/saline?

A: It is caused by unheated aqueous media (supersaturation), local solvent shock, or incorrect mixing sequence.

How to fix it?