ACBI3 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 ACBI3 product page for in-depth specifications, including solubility, stock solutions, MOA, and working concentrations.

Chemical Information

IUPAC Name	(2S,4R)-1-[(2S)-2-[4-[4-[(3S)-4-[4-[5-[(4S)-2-amino-3-cyano-4-methyl-6,7-dihydro-5H-1-benzothiophen-4-yl]-1,2,4-oxadiazol-3-yl]pyrimidin-2-yl]-3-methyl-1,4-diazepan-1-yl]butoxy]triazol-1-yl]-3-methylbutanoyl]-4-hydroxy-N-[(1R)-2-hydroxy-1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethyl]pyrrolidine-2-carboxamide
CAS Number	2938169-76-5
Molecular Formula	C₅₀H₆₂N₁₄O₆S₂
Molecular Weight (MW)	1019.25
InChIKey	DQRZNYPHOWVXPQ-YDUPODKQSA-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 (98.11 mM) (Moisture-contaminated DMSO may reduce solubility. Use fresh, anhydrous DMSO. The recommended stock concentration is 10 mM in DMSO.)
Ethanol	25 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?