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1042672-97-8,MFCD22124485
Catalog No.:AA008TE9

1042672-97-8 | IRAK inhibitor 6

Pack Size
Purity
Availability
Price(USD)
Quantity
  
1mg
98%
in stock  
$53.00   $37.00
- +
5mg
98%
in stock  
$133.00   $93.00
- +
10mg
98%
in stock  
$181.00   $127.00
- +
50mg
98%
in stock  
$306.00   $214.00
- +
  • Technical Information
  • Properties
  • Downstream Synthesis Route
  • Literature
  • Request for Quotation
  • Download SDS
  • Technical Information
  • Properties
  • Downstream Synthesis Route
  • Literature
Technical Information
Catalog Number:
AA008TE9
Chemical Name:
IRAK inhibitor 6
CAS Number:
1042672-97-8
Molecular Formula:
C20H20N4O3S
Molecular Weight:
396.4628
MDL Number:
MFCD22124485
SMILES:
COc1cc(ccc1NC(=O)c1csc(n1)c1cccnc1)N1CCOCC1
Properties
Computed Properties
 
Complexity:
520  
Covalently-Bonded Unit Count:
1  
Heavy Atom Count:
28  
Hydrogen Bond Acceptor Count:
7  
Hydrogen Bond Donor Count:
1  
Rotatable Bond Count:
5  
XLogP3:
2.4  

Downstream Synthesis Route

[1]Locationinpatent:schemeortableBuckley,GeorgeM.;Gowers,Lewis;Higueruelo,AliciaPerez;Jenkins,Kerry;Mack,StephenR.;Morgan,Trevor;Parry,DavidM.;Pitt,WilliamR.;Rausch,Oliver;Richard,MariannaD.;Sabin,Verity;Fraser,JoanneL.[BioorganicandMedicinalChemistryLetters,2008,vol.18,#11,p.3211-3214]

Literature

Title: IRAK-4 inhibitors. Part 1: a series of amides.

Journal: Bioorganic & medicinal chemistry letters 20080601

Title: Buckley G, et al. IRAK-4 inhibitors. Part 1: a series of amides. Bioorg Med Chem Lett. 2008 Jun 1;18(11):3211-4.

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SDS
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Tags:1042672-97-8 Molecular Formula|1042672-97-8 MDL|1042672-97-8 SMILES|1042672-97-8 IRAK inhibitor 6