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China
Product Name: CPI-613
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Purity: 98.0%
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Dayang Chem (Hangzhou) Co., Ltd.
China
Product Name: CPI-613
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Zhejiang Hangyu API Co., Ltd
China
Product Name: Devimistat
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Purity: 99.5%
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95809-78-2

95809-78-2 structure

95809-78-2 structure

Name: CPI-613
Chemical Name: 6,8-Bis(benzylsulfanyl)octanoic acid
CAS Number: 95809-78-2
Molecular Formula: C₂₂H₂₈O₂S₂
Molecular Weight: 388.586
Catalog: Biochemical Inhibitor Metabolism Dehydrogenase inhibitor
Create Date: 2018-05-07 08:00:00
Modify Date: 2024-01-05 10:51:22
CPI-613 is a lipoic acid analog that inhibits pyruvate dehydrogenase (PDH) and α-ketoglutarate dehydrogenase, disrupts mitochondrial metabolism and shows strong antitumor activity.

Name	6,8-Bis(benzylsulfanyl)octanoic acid
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

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

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	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)

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

100-53-8 structure

100-53-8

~%

95809-78-2 structure

95809-78-2

Literature: Journal of the American Chemical Society, , vol. 77, p. 416,418

36915-02-3 structure

36915-02-3

100-39-0 structure

100-39-0

~%

95809-78-2 structure

95809-78-2

Literature: Gibson, Frank S.; Gupta, Deepak; Shorr, Robert; Rodriguez, Robert Organic Process Research and Development, 2011 , vol. 15, # 4 p. 855 - 857

100-44-7 structure

100-44-7

~%

95809-78-2 structure

95809-78-2

Literature: Yakugaku Zasshi, , vol. 76, p. 943,945 Chem.Abstr., , p. 2562

Precursor 4
100-53-8 36915-02-3 100-39-0 100-44-7
DownStream 0