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Home Amines 1046861-17-9
1046861-17-9,MFCD14706243
Catalog No.:AA0094NP

1046861-17-9 | Ethyl 2-amino-4-chloro-5h-pyrrolo[3,4-d]pyrimidine-6(7h)-carboxylate

Pack Size
Purity
Availability
Price(USD)
Quantity
  
100mg
95%
in stock  
$380.00   $266.00
- +
250mg
95%
in stock  
$633.00   $443.00
- +
500mg
95%
in stock  
$886.00   $621.00
- +
1g
tech grade
in stock  
$918.00   $643.00
- +
5g
95%
in stock  
$3,797.00   $2,658.00
- +
  • Technical Information
  • Properties
  • Downstream Synthesis Route
  • Literature
  • Request for Quotation
  • Download SDS
  • Technical Information
  • Properties
  • Downstream Synthesis Route
  • Literature
Technical Information
Catalog Number:
AA0094NP
Chemical Name:
Ethyl 2-amino-4-chloro-5h-pyrrolo[3,4-d]pyrimidine-6(7h)-carboxylate
CAS Number:
1046861-17-9
Molecular Formula:
C9H11ClN4O2
Molecular Weight:
242.6622
MDL Number:
MFCD14706243
SMILES:
CCOC(=O)N1Cc2c(C1)c(Cl)nc(=N)[nH]2
Properties
Computed Properties
 
Complexity:
278  
Covalently-Bonded Unit Count:
1  
Heavy Atom Count:
16  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
1  
Rotatable Bond Count:
2  
XLogP3:
0.5  

Downstream Synthesis Route

[1]CurrentPatentAssignee:NOVARTISAG;Novartis(w/oSandoz);PFIZERINC-WO2008/96218,2008,A1Locationinpatent:Page/Pagecolumn59-60

[1]Patent:WO2008/96218,2008,A1.Locationinpatent:Page/Pagecolumn67-68

[1]Locationinpatent:experimentalpartZehnder,Luke;Bennett,Michael;Meng,Jerry;Huang,Buwen;Ninkovic,Sacha;Wang,Fen;Braganza,John;Tatlock,John;Jewell,Tanya;Zhou,JoeZhongxiang;Burke,Ben;Wang,Jeff;Maegley,Karen;Mehta,PramodP.;Yin,Min-Jean;Gajiwala,KetanS.;Hickey,MichaelJ.;Yamazaki,Shinji;Smith,Evan;Kang,Ping;Sistla,Anand;Dovalsantos,Elena;Gehring,MichaelR.;Kania,Robert;Wythes,Martin;Kung,Pei-Pei[JournalofMedicinalChemistry,2011,vol.54,#9,p.3368-3385]

Literature
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SDS
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Tags:1046861-17-9 Molecular Formula|1046861-17-9 MDL|1046861-17-9 SMILES|1046861-17-9 Ethyl 2-amino-4-chloro-5h-pyrrolo[3,4-d]pyrimidine-6(7h)-carboxylate