CAS No. 95809-78-2

Batch: Purity:99.03
CPI-613 (Devimistat) Chemical Structure
Chemical Structure
Check the CPI-613 (Devimistat) product page for in-depth specifications, including solubility, stock solutions, MOA, and working concentrations.

Chemical Information

IUPAC Name 6,8-bis(benzylsulfanyl)octanoic acid
CAS Number 95809-78-2
Molecular Formula

C22H28O2S2

Molecular Weight (MW) 388.59
SMILES C1=CC=C(C=C1)CSCCC(CCCCC(=O)O)SCC2=CC=CC=C2
InChIKey ZYRLHJIMTROTBO-UHFFFAOYSA-N

Ordering Information

Biological Activity

CPI-613 (Devimistat) is a lipoic acid analog and inhibitor of mitochondrial energy metabolism that targets pyruvate dehydrogenase and α-ketoglutarate dehydrogenase complexes. By suppressing pyruvate dehydrogenase activity, CPI-613 disrupts mitochondrial respiration and alters cancer cell metabolic flux. This metabolic impairment reduces mitochondrial membrane potential, increases reactive oxygen species production, and induces apoptosis across multiple tumor cell lines, while exhibiting potent antitumor activity in human tumor xenograft models. [1]

How to Prepare Stock Solution?

Concentration Volume Mass
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Solubility

Batch:
All in vitro solubility values are batch-tested experimental data (non-literature values).
Solvent Solubility & Note
DMSO 77 mg/mL (198.15 mM)
(Moisture-contaminated DMSO may reduce solubility. Use fresh, anhydrous DMSO. The recommended stock concentration is 10 mM in DMSO.)
Ethanol 77 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?
  • Preheat media/saline to 37°C.
  • Mix rapidly (pipette/vortex) upon addition.
  • For complex mixes, always add the aqueous phase last.
  • Re-dissolve minor precipitates with a 37°C water bath and sonication (≤30 min).

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Note: Technical data last updated: Sep 1, 2026.