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(R)-2-Chloro-7-ethyl-8-isopropyl-5-methyl-7,8-dihydropteridin-6(5H)-one

  • CAS No. 877676-50-1

  • Cat. No. CS-0053118
  • Purity≥97%
  • MDL No.MFCD16621126

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

(R)-2-Chloro-7-ethyl-8-isopropyl-5-methyl-7,8-dihydropteridin-6(5H)-one|CS-0053118

Structure of 877676-50-1

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General Information

  • CAS No. 877676-50-1
  • Cat. No. CS-0053118
  • Purity ≥97%
  • MDL No. MFCD16621126
  • Storage 4°C, stored under nitrogen
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₂H₁₇ClN₄O
  • Molecular Weight 268.74
  • Synonym(s) None
  • SMILES CC[C@H]1N(C(C)C)C2=C(C=NC(Cl)=N2)N(C)C1=O

Synthesis

  • Route1
    • In-stock
      (R)-2-Chloro-7-ethyl-8-isopropyl-7,8-dihydropteridin-6(5H)-one|CS-0153927
      889877-77-4
    • null|null
      616-38-6
    • ~84%
    • In-stock
      (R)-2-Chloro-7-ethyl-8-isopropyl-5-methyl-7,8-dihydropteridin-6(5H)-one|CS-0053118
      877676-50-1

    References

    • BOEHRINGER INGELHEIM INTERNATIONAL GMBH Patent: WO2009/19205 A1, 2009 ; Location in patent: Page/Page column 14 ;
  • Route2

    References

    • Bowers, Simeon; Truong, Anh P.; Ye, Michael; Aubele, Danielle L.; Sealy, Jennifer M.; Neitz, R. Jeffrey; Hom, Roy K.; Chan, Wayman; Dappen, Michael S.; Galemmo Jr., Robert A.; Konradi, Andrei W.; Sham, Hing L.; Zhu, Yong L.; Beroza, Paul; Tonn, George; Zhang, Heather; Hoffman, Jennifer; Motter, Ruth; Fauss, Donald; Tanaka, Pearl; Bova, Michael P.; Ren, Zhao; Tam, Danny; Ruslim, Lany; Baker, Jeanne; Pandya, Deepal; Diep, Linnea; Fitzgerald, Kent; Artis, Dean R.; Anderson, John P.; Bergeron, Marcelle Bioorganic and Medicinal Chemistry Letters, 2013 , vol. 23, # 9 p. 2743 - 2749
  • Route3
    • In-stock
      (R)-2-Chloro-7-ethyl-8-isopropyl-7,8-dihydropteridin-6(5H)-one|CS-0153927
      889877-77-4
    • null|null
      80-48-8
    • ~%
    • In-stock
      (R)-2-Chloro-7-ethyl-8-isopropyl-5-methyl-7,8-dihydropteridin-6(5H)-one|CS-0053118
      877676-50-1

    References

    • SHANGHAI HENGRUI PHARMACEUTICAL CO., LTD.; JIANGSU HENGRUI MEDICINE CO., LTD. Patent: US2012/184543 A1, 2012 ; Title/Abstract Full Text Show Details Jiangsu Hengrui Medicine Co., Ltd.; Shanghai Hengrui Pharmaceutical Co. Ltd. Patent: EP2481739 A1, 2012 ;

Safety Information

Download SDS
GHS Pictogram :
GHS No : GHS07
Signal Word : Warning
UN#: N/A
Class : N/A
Packing Group : N/A
Hazard Statements : H315-H319-H335
Precautionary Statements : P260-P264-P271-P280-P302+P352-P304+P340-P305+P351+P338-P312-P332+P313-P337+P313-P362+P364-P403+P233-P405-P501

Quality Control

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Computational Chemistry Data

  • TPSA   49.33
  • LogP   2.0998
  • H_Acceptors   4
  • H_Donors   0
  • Rotatable_Bonds   2

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