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CS-W001157 4
Total: USD 88.00

7-Deazaxanthine (impurity)

  • CAS No. 39929-79-8

  • Cat. No. CS-0655394
  • Purity≥98%
  • MDL No.MFCD03092515

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

7-Deazaxanthine (impurity)|CS-0655394

Structure of 39929-79-8

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General Information

  • CAS No. 39929-79-8
  • Cat. No. CS-0655394
  • Purity ≥98%
  • MDL No. MFCD03092515
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₆H₅N₃O₂
  • Molecular Weight 151.12
  • Synonym(s) None
  • SMILES O=C1NC(NC=C2)=C2C(N1)=O

Synthesis

  • Route1
    • null|null
      107-20-0
    • 4-Amino-2,6-dihydroxypyrimidine Tofacitinib  Impurity|CS-0229350
      873-83-6
    • ~98%
    • 7-Deazaxanthine (impurity)|CS-0655394
      39929-79-8

    References

    • Chen, Zecheng; Venkatesan, Aranapakam M.; Dehnhardt, Christoph M.; Ayral-Kaloustian, Semiramis; Brooijmans, Natasja; Mallon, Robert; Feldberg, Larry; Hollander, Irwin; Lucas, Judy; Yu, Ker; Kong, Fangming; Mansour, Tarek S. Journal of Medicinal Chemistry, 2010 , vol. 53, # 8 p. 3169 - 3182
  • Route2

    References

    • Xie, Hui; Zeng, Lili; Zeng, Shaogao; Lu, Xin; Zhang, Guicheng; Zhao, Xin; Cheng, Na; Tu, Zhengchao; Li, Zhiyuan; Xu, Hongjiang; Yang, Ling; Zhang, Xiquan; Huang, Min; Zhao, Junling; Hu, Wenhui European Journal of Medicinal Chemistry, 2012 , vol. 52, p. 205 - 212
  • Route3
    • null|null
      102879-75-4
    • ~81%
    • 7-Deazaxanthine (impurity)|CS-0655394
      39929-79-8

    References

    • VERNALIS (R and D) LTD. Patent: WO2007/104944 A1, 2007 ; Location in patent: Page/Page column 38 ;

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   81.51
  • LogP   -0.4555
  • H_Acceptors   2
  • H_Donors   3
  • Rotatable_Bonds   0

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