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CS-W001157 4
Total: USD 88.00

2-(6-Amino-8-bromo-9H-purin-9-yl)ethyl acetate

  • CAS No. 874903-79-4

  • Cat. No. CS-0548062
  • Purity≥98%
  • MDL No.None

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

2-(6-Amino-8-bromo-9H-purin-9-yl)ethyl acetate|CS-0548062

Structure of 874903-79-4

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General Information

  • CAS No. 874903-79-4
  • Cat. No. CS-0548062
  • Purity ≥98%
  • MDL No. None
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₉H₁₀BrN₅O₂
  • Molecular Weight 300.11
  • Synonym(s) 2-(6-Amino-8-bromo-9H-purin-9-yl)ethylacetate
  • SMILES CC(=O)OCCN1C2=NC=NC(=C2N=C1Br)N

Synthesis

  • Route1
    • null|null
      5845-43-2
    • ~77%
    • 2-(6-Amino-8-bromo-9H-purin-9-yl)ethyl acetate|CS-0548062
      874903-79-4

    References

    • Zhang, Lin; Fan, Junhua; Vu, Khang; Hong, Kevin; Le Brazidec, Jean-Yves; Shi, Jiandong; Biamonte, Marco; Busch, David J.; Lough, Rachel E.; Grecko, Roy; Ran, Yingqing; Sensintaffar, John L.; Kamal, Adeela; Lundgren, Karen; Burrows, Francis J.; Mansfield, Robert; Timony, Gregg A.; Ulm, Edgar H.; Kasibhatla, Srinivas R.; Boehm, Marcus F. Journal of Medicinal Chemistry, 2006 , vol. 49, # 17 p. 5352 - 5362
  • Route2
    • null|null
      66224-66-6
    • ~%
    • 2-(6-Amino-8-bromo-9H-purin-9-yl)ethyl acetate|CS-0548062
      874903-79-4

    References

    • Zhang, Lin; Fan, Junhua; Vu, Khang; Hong, Kevin; Le Brazidec, Jean-Yves; Shi, Jiandong; Biamonte, Marco; Busch, David J.; Lough, Rachel E.; Grecko, Roy; Ran, Yingqing; Sensintaffar, John L.; Kamal, Adeela; Lundgren, Karen; Burrows, Francis J.; Mansfield, Robert; Timony, Gregg A.; Ulm, Edgar H.; Kasibhatla, Srinivas R.; Boehm, Marcus F. Journal of Medicinal Chemistry, 2006 , vol. 49, # 17 p. 5352 - 5362

Safety Information

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GHS Pictogram : N/A
GHS No : N/A
Signal Word : N/A
UN#: N/A
Class : N/A
Packing Group : N/A
Hazard Statements : N/A
Precautionary Statements : N/A

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Computational Chemistry Data

  • TPSA   95.92
  • LogP   0.7341
  • H_Acceptors   7
  • H_Donors   1
  • Rotatable_Bonds   3

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