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2850-36-4,MFCD00798591
Catalog No.:AA002VHO

2850-36-4 | 1H-Purine-2,6-dione, 1,3-dibutyl-3,9-dihydro-

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Price(USD)
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100mg
3 weeks  
$325.00   $227.00
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1g
3 weeks  
$856.00   $599.00
- +
  • Technical Information
  • Properties
  • Downstream Synthesis Route
  • Literature
  • Request for Quotation
  • Download SDS
  • Technical Information
  • Properties
  • Downstream Synthesis Route
  • Literature
Technical Information
Catalog Number:
AA002VHO
Chemical Name:
1H-Purine-2,6-dione, 1,3-dibutyl-3,9-dihydro-
CAS Number:
2850-36-4
Molecular Formula:
C13H20N4O2
Molecular Weight:
264.3235
MDL Number:
MFCD00798591
SMILES:
CCCCn1c(=O)c2nc[nH]c2n(c1=O)CCCC
NSC Number:
515484
Properties
Properties
 
BP:
474.7 °C at 760 mmHg  
Form:
Solid  
MP:
185-188°C  
Storage:
-20 ℃;  

Computed Properties
 
Complexity:
348  
Covalently-Bonded Unit Count:
1  
Heavy Atom Count:
19  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Rotatable Bond Count:
6  
XLogP3:
2.5  

Downstream Synthesis Route
6974-32-9    2850-36-4    29420-49-3   
1,3-di-n-butyl-xanthine-7-β-D-ribofuranoside 

[1]Patent:US5773423,1998,A

1138-56-3    2850-36-4   
7-(4-butoxy-benzenesulfonyl)-1,3-dibutyl-3,7-dihydro-purine-2,6-dione 

[1]Gilbert,AdamM.;Caltabiano,Stephen;Roberts,Denise;Sum,SamF.W.;Francisco,GerardoD.;Lim,Kitae;Asselin,Magda;Ellingboe,JohnW.;Kharode,Yogendra;Cannistraci,Anna;Francis,Rita;TrailSmith,Mark;Gralnick,David[JournalofMedicinalChemistry,2000,vol.43,#6,p.1223-1233]

7795-95-1    2850-36-4   
1,3-dibutyl-7-(octane-1-sulfonyl)-3,7-dihydro-purine-2,6-dione 

[1]JournalofMedicinalChemistry,2000,vol.43,p.1223-1233

2850-36-4    26638-43-7   
2-(1,3-dibutyl-2,6-dioxo-1,2,3,6-tetrahydro-purine-7-sulfonyl)-benzoicacidmethylester 

[1]JournalofMedicinalChemistry,2000,vol.43,p.1223-1233

[1]JournalofMedicinalChemistry,1994,vol.37,p.3373-3382

Literature

Title: Synthesis and purine receptor affinity of 6-oxopurine nucleosides and nucleotides containing (N)-methanocarba-pseudoribose rings.

Journal: Bioorganic & medicinal chemistry letters 20010903

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SDS
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Tags:2850-36-4 Molecular Formula|2850-36-4 MDL|2850-36-4 SMILES|2850-36-4 1H-Purine-2,6-dione, 1,3-dibutyl-3,9-dihydro-