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188112-92-7,MFCD12913317
Catalog No.:AA00ATBO

188112-92-7 | Desmethyl SCH 442416

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Purity
Availability
Price(USD)
Quantity
  
10mg
95%
in stock  
$647.00   $453.00
- +
25mg
95%
in stock  
$1,275.00   $893.00
- +
  • Technical Information
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  • Technical Information
  • Properties
  • Literature
Technical Information
Catalog Number:
AA00ATBO
Chemical Name:
Desmethyl SCH 442416
CAS Number:
188112-92-7
Molecular Formula:
C19H17N7O2
Molecular Weight:
375.3840
MDL Number:
MFCD12913317
SMILES:
C1=COC(=C1)C2=NN3C(=N2)C4=C(N=C3N)N(N=C4)CCCC5=CC=C(C=C5)O
Properties
Computed Properties
 
Complexity:
532  
Covalently-Bonded Unit Count:
1  
Heavy Atom Count:
28  
Hydrogen Bond Acceptor Count:
7  
Hydrogen Bond Donor Count:
2  
Rotatable Bond Count:
5  
XLogP3:
2.4  

Literature

Title: Molecular probes for the A2A adenosine receptor based on a pyrazolo[4,3-e][1,2,4]triazolo[1,5-c]pyrimidin-5-amine scaffold.

Journal: Bioorganic & medicinal chemistry letters 20110501

Title: Synthesis and evaluation of 1,2,4-triazolo[1,5-c]pyrimidine derivatives as A2A receptor-selective antagonists.

Journal: Bioorganic & medicinal chemistry letters 20101001

Title: Combining selectivity and affinity predictions using an integrated Support Vector Machine (SVM) approach: An alternative tool to discriminate between the human adenosine A(2A) and A(3) receptor pyrazolo-triazolo-pyrimidine antagonists binding sites.

Journal: Bioorganic & medicinal chemistry 20090715

Title: Pyrazolo-triazolo-pyrimidines as adenosine receptor antagonists: A complete structure-activity profile.

Journal: Purinergic signalling 20070601

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Tags:188112-92-7 Molecular Formula|188112-92-7 MDL|188112-92-7 SMILES|188112-92-7 Desmethyl SCH 442416