CAS 95809-78-2|CPI-613

Introduction：Basic information about CAS 95809-78-2|CPI-613, including its chemical name, molecular formula, synonyms, physicochemical properties, and safety information, etc.

Table of Contents

1. Names
2. CPI-613 BiologicalActivity
3. Chemical & Physical Properties
4. Safety Information
5. Synonyms

Common Name	CPI-613
CAS Number	95809-78-2	Molecular Weight	388.586
Density	1.1±0.1 g/cm3	Boiling Point	553.0±50.0 °C at 760 mmHg
Molecular Formula	C₂₂H₂₈O₂S₂	Melting Point	63-65℃
MSDS	Chinese	Flash Point	288.3±30.1 °C
Symbol	GHS09	Signal Word	Warning

Names

Name	6,8-Bis(benzylsulfanyl)octanoic acid
Synonym	More Synonyms

CPI-613 BiologicalActivity

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 >>OthersResearch 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

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 >>OthersResearch 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

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
InChIKey	ZYRLHJIMTROTBO-UHFFFAOYSA-N
SMILES	O=C(O)CCCCC(CCSCc1ccccc1)SCc1ccccc1
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

Synonyms

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

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