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1351961-59-5,MFCD29039603
Catalog No.:AA009ETN

1351961-59-5 | 7-(4-Methoxybenzyl)-5-methyl-2H-pyrazolo[3,4-d]pyrimidine-4,6(5H,7H)-dione

Pack Size
Purity
Availability
Price(USD)
Quantity
  
100mg
95%
in stock  
$570.00   $399.00
- +
250mg
95%
in stock  
$1,108.00   $776.00
- +
500mg
95%
in stock  
$1,582.00   $1,108.00
- +
1g
95%
in stock  
$2,215.00   $1,551.00
- +
  • Technical Information
  • Properties
  • Downstream Synthesis Route
  • Literature
  • Request for Quotation
  • Download SDS
  • Technical Information
  • Properties
  • Downstream Synthesis Route
  • Literature
Technical Information
Catalog Number:
AA009ETN
Chemical Name:
7-(4-Methoxybenzyl)-5-methyl-2H-pyrazolo[3,4-d]pyrimidine-4,6(5H,7H)-dione
CAS Number:
1351961-59-5
Molecular Formula:
C14H14N4O3
Molecular Weight:
286.2860
MDL Number:
MFCD29039603
SMILES:
COc1ccc(cc1)Cn1c(=O)n(C)c(=O)c2c1n[nH]c2
Properties
Computed Properties
 
Complexity:
422  
Covalently-Bonded Unit Count:
1  
Heavy Atom Count:
21  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Rotatable Bond Count:
3  
XLogP3:
0.9  

Downstream Synthesis Route

[1]Patent:WO2006/133261,2006,A2.Locationinpatent:Page/Pagecolumn31-32

[2]Patent:WO2009/73210,2009,A1.Locationinpatent:Page/Pagecolumn79

[1]Li,Peng;Zheng,Hailin;Zhao,Jun;Zhang,Lei;Yao,Wei;Zhu,Hongwen;DavidBeard;Ida,Koh;Lane,Weston;Snell,Gyorgy;Sogabe,Satoshi;Heyser,CharlesJ.;Snyder,GretchenL.;Hendrick,JosephP.;Vanover,KimberlyE.;Davis,RobertE.;Wennogle,LawrenceP.[JournalofMedicinalChemistry,2016,vol.59,#3,p.1149-1164]

[2]CurrentPatentAssignee:INTRA-CELLULARTHERAPIES,INC.-WO2021/226407,2021,A1

Literature
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SDS
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Tags:1351961-59-5 Molecular Formula|1351961-59-5 MDL|1351961-59-5 SMILES|1351961-59-5 7-(4-Methoxybenzyl)-5-methyl-2H-pyrazolo[3,4-d]pyrimidine-4,6(5H,7H)-dione