Products 95809-78-2

CAS 95809-78-2 appears in our catalog under these names: CPI 613, >95% (HPLC), Devimistat/ 99.24% (existing batch purity), CPI–613, 6,8-Bis(benzylthio)octanoic Acid, >98.0%(HPLC)(T), Devimistat 98%. Offered by: TRC, TargetMol, GLPBio, TCI, Ambeed. Available pack sizes: 10mg, 5mg, 25mg, 50mg, 100mg, 500mg, 10mM (in 1ml dmso), 1mg.

CPI 613, >95% (HPLC)
TRC
  • size: 10mg, 5mg
  • Variants: 2
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Devimistat/ 99.24% (existing batch purity)
TargetMol
  • size: 5mg, 10mg, 25mg, 50mg
  • Variants: 6
from 532.05
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CPI–613
GLPBio
  • size: 10mg, 100mg, 5mg, 10mM (in 1ml dmso)
  • Variants: 5
from 643.84
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6,8-Bis(benzylthio)octanoic Acid, >98.0%(HPLC)(T)
TCI
  • size: 5mg, 25mg
  • Variants: 2
from 231.44
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Devimistat 98%
Ambeed
  • size: 1mg, 5mg, 10mg, 50mg
  • Variants: 7
from 153.44
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Devimistat, 99.59%
MedChemExpress
  • size: 100 mg, 10 mg, 50 mg, 5 mg
  • Variants: 5
from 435.79
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Structural formula: {0} (CAS {1})

Devimistat is a racemate comprising equimolar amounts of (6R)-6,8-bis(benzylsulfanyl)octanoic acid and its enantiomer, (6S)-6,8-bis(benzylsulfanyl)octanoic acid. It is an inhibitor of pyruvate dehydrogenase and alpha-ketoglutarate dehydrogenase enzymes, and currently in development for the treatment of pancreatic cancer and acute myeloid leukemia. It has a role as an EC 2.7.11.2 - [pyruvate dehydrogenase (acetyl-transferring)] kinase inhibitor and an antineoplastic agent. It contains a (6R)-6,8-bis(benzylsulfanyl)octanoic acid and a (6S)-6,8-bis(benzylsulfanyl)octanoic acid.

Source: ChEBI

Identity
Molecular formulaC22H28O2S2
Molecular weight388.6 g/mol
IUPAC name6,8-bis(benzylsulfanyl)octanoic acid
InChIKeyZYRLHJIMTROTBO-UHFFFAOYSA-N
SMILESC1=CC=C(C=C1)CSCCC(CCCCC(=O)O)SCC2=CC=CC=C2

Computed by PubChem (NCBI)

Synonyms: Devimistat, Octanoic acid, 6,8-bis[(phenylMethyl)thio]-, 6,8-Bis[(phenylmethyl)thio]octanoic acid, Octanoic acid, 6,8-bis((phenylmethyl)thio)-, 6,8-Bis((phenylmethyl)thio)octanoic acid, devimistatum, Alpha-Lipoic Acid Analogue CPI-613, 6,8-bis(benzylthio)octanoic acid, 6,8-Bis(benzylsulfanyl)octanoic acid, DEVIMISTAT [INN]