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1166227-08-2,MFCD22378485
Catalog No.:AA000CT6

1166227-08-2 | A66

Pack Size
Purity
Availability
Price(USD)
Quantity
  
1mg
≥98%
in stock  
$52.00   $36.00
- +
5mg
≥98%
in stock  
$136.00   $95.00
- +
10mg
≥98%
in stock  
$246.00   $172.00
- +
25mg
≥98%
in stock  
$549.00   $384.00
- +
50mg
98%
in stock  
$1,011.00   $708.00
- +
100mg
98%
in stock  
$1,436.00   $1,005.00
- +
  • Technical Information
  • Properties
  • Upstream Synthesis Route
  • Downstream Synthesis Route
  • Literature
  • Request for Quotation
  • Download SDS
  • Technical Information
  • Properties
  • Upstream Synthesis Route
  • Downstream Synthesis Route
  • Literature
Technical Information
Catalog Number:
AA000CT6
Chemical Name:
A66
CAS Number:
1166227-08-2
Molecular Formula:
C17H23N5O2S2
Molecular Weight:
393.5268
MDL Number:
MFCD22378485
SMILES:
NC(=O)[C@@H]1CCCN1C(=O)Nc1nc(c(s1)c1csc(n1)C(C)(C)C)C
Properties
Computed Properties
 
Complexity:
556  
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
1  
Heavy Atom Count:
26  
Hydrogen Bond Acceptor Count:
6  
Hydrogen Bond Donor Count:
2  
Rotatable Bond Count:
4  
XLogP3:
2.8  

Upstream Synthesis Route

[1]Patent:WO2009/80705,2009,A2,.Locationinpatent:Page/Pagecolumn52

[1]BioorganicandMedicinalChemistryLetters,2015,vol.25,#17,p.3569-3574

[1]BioorganicandMedicinalChemistryLetters,2015,vol.25,#17,p.3569-3574

[1]BioorganicandMedicinalChemistryLetters,2015,vol.25,#17,p.3569-3574

Downstream Synthesis Route

[1]Patent:WO2009/80705,2009,A2.Locationinpatent:Page/Pagecolumn52

[1]BioorganicandMedicinalChemistryLetters,2015,vol.25,p.3569-3574

C13H17N3OS2 
  530-62-1    7531-52-4    1166227-08-2 

[1]BioorganicandMedicinalChemistryLetters,2015,vol.25,p.3569-3574

[1]BioorganicandMedicinalChemistryLetters,2015,vol.25,p.3569-3574

Literature

Title: Jamieson S, et al. A drug targeting only p110α can block phosphoinositide 3-kinase signalling and tumour growth in certain cell types. Biochem J, 2011, 438(1), 53-62.

Title: Sun M, et al. Cancer-derived mutations in the regulatory subunit p85alpha of phosphoinositide 3-kinase function through the catalytic subunit p110alpha. Proc Natl Acad Sci U S A, 2010, 107(35), 15547-15552.

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SDS
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Tags:1166227-08-2 Molecular Formula|1166227-08-2 MDL|1166227-08-2 SMILES|1166227-08-2 A66