CPI-613

Names

[ Name ]:
CPI-613

[Synonym ]:
6,8-bis-benzylsulfanyl-octanoic acid
6,8-Bis(benzylsulfanyl)octanoic acid
6,8-Bis-benzylmercapto-octansaeure
6,8-bis-benzylthio-octanoic acid
Octanoic acid, 6,8-bis[(phenylmethyl)thio]-
cc-429
QCR-193
(+/-)6,8-bis-thiobenzyl octanoic acid
CPI 613
UNII:E76113IR49
CPI-613
6,8-Bis(benzylthio)octanoic acid

Biological Activity

[Description]:

CPI-613 is a lipoic acid analog that inhibits pyruvate dehydrogenase (PDH) and α-ketoglutarate dehydrogenase, disrupts mitochondrial metabolism and shows strong antitumor activity.

[Related Catalog]:

Signaling Pathways >> Others >> Others

Research Areas >> Cancer

[References]

[1]. Zachar Z, Marecek J, Maturo C et al. Non-redox-active lipoate derivates disrupt cancer cell mitochondrial metabolism and are potent anticancer agents in vivo. J Mol Med (Berl). 2011 Nov;89(11):1137-48.

[2]. Lee KC, Shorr R, Rodriguez R et al. Formation and anti-tumor activity of uncommon in vitro and in vivo metabolites of CPI-613, a novel anti-tumor compound that selectively alters tumor energy metabolism. Drug Metab Lett. 2011 Aug;5(3):163-82.

[3]. Safety and Effectiveness Study of CPI-613 to Treat Refractory or Relapsed Leukemia and Myelodysplastic Syndrome

[Related Small Molecules]

Chemical & Physical Properties

[ Density]:
1.1±0.1 g/cm3

[ Boiling Point ]:
553.0±50.0 °C at 760 mmHg

[ Melting Point ]:
63-65℃

[ Molecular Formula ]:
C₂₂H₂₈O₂S₂

[ Molecular Weight ]:
388.586

[ Flash Point ]:
288.3±30.1 °C

[ Exact Mass ]:
388.153076

[ PSA ]:
87.90000

[ LogP ]:
5.66

[ Appearance of Characters ]:
white to beige

[ Vapour Pressure ]:
0.0±1.6 mmHg at 25°C

[ Index of Refraction ]:
1.595

[ Storage condition ]:
2-8°C

[ Water Solubility ]:
DMSO: soluble15mg/mL (clear solution)

Safety Information

[ Symbol ]:

GHS09

[ Signal Word ]:
Warning

[ Hazard Statements ]:
H410

[ Precautionary Statements ]:
P273-P501

[ Hazard Codes ]:
N

[ Risk Phrases ]:
50/53

[ Safety Phrases ]:
60-61

[ RIDADR ]:
UN 3077 9 / PGIII

Synthetic Route

Click to get detail synthetic route

Precursor & DownStream

Precursor

DownStream

Related Compounds

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