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CS-W001157 4
Total: USD 88.00

2-Chloro-9-(tetrahydropyran-2-yl)adenine

  • CAS No. 77111-77-4

  • Cat. No. CS-0155245
  • Purity≥95%
  • MDL No.MFCD12964278

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

2-Chloro-9-(tetrahydropyran-2-yl)adenine|CS-0155245

Structure of 77111-77-4

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General Information

  • CAS No. 77111-77-4
  • Cat. No. CS-0155245
  • Purity ≥95%
  • MDL No. MFCD12964278
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₀H₁₂ClN₅O
  • Molecular Weight 253.69
  • Synonym(s) None
  • SMILES C1CCOC(C1)N2C=NC3=C(N)N=C(Cl)N=C32

Synthesis

  • Route1
    • 2,6-Dichloro-9-(tetrahydro-2H-pyran-2-yl)-9H-purine|CS-D1264
      20419-68-5
    • ~95%
    • In-stock
      2-Chloro-9-(tetrahydropyran-2-yl)adenine|CS-0155245
      77111-77-4

    References

    • Borrmann, Thomas; Abdelrahman, Aliaa; Volpini, Rosaria; Lambertucci, Catia; Alksnis, Edgars; Gorzalka, Simone; Knospe, Melanie; Schiedel, Anke C.; Cristalli, Gloria; Mueller, Christa E. Journal of Medicinal Chemistry, 2009 , vol. 52, # 19 p. 5974 - 5989
  • Route2
    • null|null
      110-87-2
    • In-stock
      2,6-Dichloropurine|CS-W007367
      5451-40-1
    • ~%
    • In-stock
      2-Chloro-9-(tetrahydropyran-2-yl)adenine|CS-0155245
      77111-77-4

    References

    • GLAXOSMITHKLINE LLC; GIBBON, Robert Hermann; LUCAS, Amanda; HERMITAGE, Stephen Andrew Patent: WO2011/98452 A1, 2011 ; Location in patent: Page/Page column 23; 24 ;
  • Route3
    • null|null
      110-87-2
    • ~%
    • In-stock
      2-Chloro-9-(tetrahydropyran-2-yl)adenine|CS-0155245
      77111-77-4

    References

    • GLAXOSMITHKLINE LLC; BAZIN-LEE, Helene; COE, Diane, Mary; JOHNSON, David, A.; MITCHELL, Charlotte, Jane Patent: WO2011/98451 A1, 2011 ;

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
Precautionary Statements : P264-P270-P330-P501

Quality Control

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Computational Chemistry Data

  • TPSA   78.85
  • LogP   1.761
  • H_Acceptors   6
  • H_Donors   1
  • Rotatable_Bonds   1

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