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42521-82-4,MFCD17292545
Catalog No.:AA0071TD

42521-82-4 | IPA 3

Pack Size
Purity
Availability
Price(USD)
Quantity
  
5mg
98%
in stock  
$57.00   $40.00
- +
10mg
98%
in stock  
$99.00   $69.00
- +
50mg
95%
in stock  
$425.00   $298.00
- +
100mg
95%
in stock  
$718.00   $503.00
- +
  • Technical Information
  • Properties
  • Downstream Synthesis Route
  • Literature
  • Request for Quotation
  • Download SDS
  • Technical Information
  • Properties
  • Downstream Synthesis Route
  • Literature
Technical Information
Catalog Number:
AA0071TD
Chemical Name:
IPA 3
CAS Number:
42521-82-4
Molecular Formula:
C20H14O2S2
Molecular Weight:
350.4540
MDL Number:
MFCD17292545
SMILES:
Oc1ccc2c(c1SSc1c(O)ccc3c1cccc3)cccc2
Properties
Computed Properties
 
Complexity:
380  
Covalently-Bonded Unit Count:
1  
Heavy Atom Count:
24  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
2  
Rotatable Bond Count:
3  
XLogP3:
5.8  

Downstream Synthesis Route

[1]Warren;Smiles[JournaloftheChemicalSociety,1931,p.914,919]

[1]YakugakuZasshi/JournalofthePharmaceuticalSocietyofJapan,1953,vol.73,p.1083    Chem.Abstr.,1954,p.12053

[1]CurrentPatentAssignee:DUPONTDENEMOURSINC-US2216840,1938,AStevenson;Smiles[JournaloftheChemicalSociety,1930,p.1740,1744][JournaloftheChemicalSociety,1931,p.718,722]

[2]CurrentPatentAssignee:DUPONTDENEMOURSINC-US2216840,1938,AStevenson;Smiles[JournaloftheChemicalSociety,1930,p.1740,1744][JournaloftheChemicalSociety,1931,p.718,722]

42521-82-4   
1-(2-hydroxy-1naphthyldisulfanyl)-1-nitro-1<i>H</i>-naphthalen-2-one 

[1]Warren;Smiles[JournaloftheChemicalSociety,1931,p.1192,1195]

42521-82-4   
1,1'-dinitro-1<i>H</i>,1'<i>H</i>-1,1'-disulfanediyl-bis-naphthalen-2-one 

[1]Warren;Smiles[JournaloftheChemicalSociety,1931,p.1192,1195]

Literature

Title: Optimization of a Dibenzodiazepine Hit to a Potent and Selective Allosteric PAK1 Inhibitor.

Journal: ACS medicinal chemistry letters 20150709

Title: p21-Activated kinase 1 (Pak1) phosphorylates BAD directly at serine 111 in vitro and indirectly through Raf-1 at serine 112.

Journal: PloS one 20110101

Title: An allosteric kinase inhibitor binds the p21-activated kinase autoregulatory domain covalently.

Journal: Molecular cancer therapeutics 20090901

Title: An isoform-selective, small-molecule inhibitor targets the autoregulatory mechanism of p21-activated kinase.

Journal: Chemistry & biology 20080401

Title: Sustained ER Ca2+ depletion suppresses protein synthesis and induces activation-enhanced cell death in mast cells.

Journal: The Journal of biological chemistry 20020419

Title: Viaud J, et al. An allosteric kinase inhibitor binds the p21-activated kinase autoregulatory domain covalently. Mol Cancer Ther. 2009 Sep;8(9):2559-65.

Title: Flaiz C, et al. PAK kinase regulates Rac GTPase and is a potential target in human schwannomas. Exp Neurol. 2009 Jul;218(1):137-44.

Title: Deacon SW, et al. An isoform-selective, small-molecule inhibitor targets the autoregulatory mechanism of p21-activated kinase. Chem Biol. 2008 Apr;15(4):322-31.

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