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95809-78-2,MFCD22420826
Catalog No.:AA00IJDP

95809-78-2 | CPI-613

Pack Size
Purity
Availability
Price(USD)
Quantity
  
1mg
98%
in stock  
$13.00   $9.00
- +
5mg
98%
in stock  
$29.00   $21.00
- +
10mg
98%
in stock  
$44.00   $31.00
- +
25mg
98%(HPLC)
in stock  
$91.00   $64.00
- +
100mg
98%(HPLC)
in stock  
$270.00   $189.00
- +
  • Technical Information
  • Properties
  • Literature
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  • Download SDS
  • Technical Information
  • Properties
  • Literature
Technical Information
Catalog Number:
AA00IJDP
Chemical Name:
CPI-613
CAS Number:
95809-78-2
Molecular Formula:
C22H28O2S2
Molecular Weight:
388.5865
MDL Number:
MFCD22420826
SMILES:
OC(=O)CCCCC(SCc1ccccc1)CCSCc1ccccc1
Properties
Computed Properties
 
Complexity:
363  
Covalently-Bonded Unit Count:
1  
Heavy Atom Count:
26  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Rotatable Bond Count:
13  
Undefined Atom Stereocenter Count:
1  
XLogP3:
5.5  

Literature

Title: Non-redox-active lipoate derivates disrupt cancer cell mitochondrial metabolism and are potent anticancer agents in vivo.

Journal: Journal of molecular medicine (Berlin, Germany) 20111101

Title: 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.

Journal: Drug metabolism letters 20110801

Title: Sakuratani T, et al. Downregulation of ARID1A in gastric cancer cells: a putative protective molecular mechanism against the Harakiri-mediated apoptosis pathway. Virchows Arch. 2021;478(3):401-411.

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SDS
Tags:95809-78-2 Molecular Formula|95809-78-2 MDL|95809-78-2 SMILES|95809-78-2 CPI-613