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CS-W001157 4
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8-Bromo-7-(but-2-yn-1-yl)-3-methyl-1-((4-methylquinazolin-2-yl)methyl)-1H-purine-2,6(3H,7H)-dione

  • CAS No. 853029-57-9

  • Cat. No. CS-M2881
  • Purity≥95%
  • MDL No.MFCD18642578

*For research and further manufacturing use only, not for direct human use.

8-Bromo-7-(but-2-yn-1-yl)-3-methyl-1-((4-methylquinazolin-2-yl)methyl)-1H-purine-2,6(3H,7H)-dione|CS-M2881

Structure of 853029-57-9

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General Information

  • CAS No. 853029-57-9
  • Cat. No. CS-M2881
  • Purity ≥95%
  • MDL No. MFCD18642578
  • Storage 4°C
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₂₀H₁₇BrN₆O₂
  • Molecular Weight 453.30
  • Synonym(s) 8-Bromo-7-but-2-ynyl-3-methyl-1-(4-methyl-quinazolin-2-ylmethyl)-3,7-dihydro-purine-2,6-dione
  • SMILES O=C(N1CC2=NC(C)=C3C=CC=CC3=N2)N(C)C4=C(N(CC#CC)C(Br)=N4)C1=O

Synthesis

  • Route1

    References

    • WO2005/51950 A1, ; Page/Page column 18 ;
  • Route2

    References

    • Journal of Medicinal Chemistry, , vol. 50, # 26 p. 6450 - 6453

Safety Information

Download SDS
GHS Pictogram :
GHS No : GHS07
Signal Word : Warning
UN#: N/A
Class : N/A
Packing Group : N/A
Hazard Statements : H302-H315-H319-H335
Precautionary Statements : P261-P264-P270-P271-P280-P302+P352-P304+P340-P305+P351+P338-P330-P362+P364-P403+P233-P405-P501

Quality Control

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Computational Chemistry Data

  • TPSA   87.6
  • LogP   1.98242
  • H_Acceptors   8
  • H_Donors   0
  • Rotatable_Bonds   3

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