Tolinapant (ASTX660) Chemical Structure (2D and 3D)

2D Structure

2D chemical structural formula diagram.

3D Structure

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

Check the Tolinapant (ASTX660) product page for in-depth specifications, including solubility, stock solutions, MOA, and working concentrations.

Chemical Information

IUPAC Name	1-[6-[(4-fluorophenyl)methyl]-5-(hydroxymethyl)-3,3-dimethyl-2H-pyrrolo[3,2-b]pyridin-1-yl]-2-[(2R,5R)-5-methyl-2-[[(3R)-3-methylmorpholin-4-yl]methyl]piperazin-1-yl]ethanone
CAS Number	1799328-86-1
Molecular Formula	C₃₀H₄₂FN₅O₃
Molecular Weight (MW)	539.68
SMILES	CC1CN(C(CN1)CN2CCOCC2C)CC(=O)N3CC(C4=C3C=C(C(=N4)CO)CC5=CC=C(C=C5)F)(C)C
InChIKey	YCXOHEXZVKOGEV-DNRQZRRGSA-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 (185.29 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?

Pre-aliquoted for Longevity: Solid-state aliquots offer longer shelf life compared to stock solutions.

Looking for a specific aliquot size? Contact your local sales representative or orders@selleckchem.com.