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CS-W001157 4
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(R)-2-Chloro-7-ethyl-8-isopropyl-7,8-dihydropteridin-6(5H)-one

  • CAS No. 889877-77-4

  • Cat. No. CS-0153927
  • Purity≥95%
  • MDL No.MFCD16620521

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

(R)-2-Chloro-7-ethyl-8-isopropyl-7,8-dihydropteridin-6(5H)-one|CS-0153927

Structure of 889877-77-4

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General Information

  • CAS No. 889877-77-4
  • Cat. No. CS-0153927
  • Purity ≥95%
  • MDL No. MFCD16620521
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₁H₁₅ClN₄O
  • Molecular Weight 254.72
  • Synonym(s) (7R)-2-Chloro-7-ethyl-7,8-dihydro-8-(1-methylethyl)-6(5H)-pteridinone
  • SMILES CC[C@@H]1C(NC2=CN=C(N=C2N1C(C)C)Cl)=O

Synthesis

  • Route1
    • (R)-Methyl 2-((2-chloro-5-nitropyrimidin-4-yl)(isopropyl)amino)butanoate|CS-0162218
      946161-16-6
    • ~89%
    • In-stock
      (R)-2-Chloro-7-ethyl-8-isopropyl-7,8-dihydropteridin-6(5H)-one|CS-0153927
      889877-77-4

    References

    • BOEHRINGER INGELHEIM INTERNATIONAL GMBH Patent: WO2009/19205 A1, 2009 ; Location in patent: Page/Page column 13-14 ;
  • Route2

    References

    • Jiangsu Hengrui Medicine Co., Ltd.; Shanghai Hengrui Pharmaceutical Co. Ltd. Patent: EP2481739 A1, 2012 ;
  • Route3
    • (R)-Methyl 2-((2-chloro-5-nitropyrimidin-4-yl)(isopropyl)amino)butanoate|CS-0162218
      946161-16-6
    • null|null
      64-19-7
    • ~%
    • In-stock
      (R)-2-Chloro-7-ethyl-8-isopropyl-7,8-dihydropteridin-6(5H)-one|CS-0153927
      889877-77-4

    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

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
Precautionary Statements : P264-P270-P280-P302+P352-P330-P362+P364-P501

Quality Control

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Computational Chemistry Data

  • TPSA   58.12
  • LogP   2.0755
  • H_Acceptors   4
  • H_Donors   1
  • Rotatable_Bonds   2

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