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CS-W001157 4
Total: USD 88.00

4-(2-(2-Amino-4-oxo-4,7-dihydro-1H-pyrrolo[2,3-d]pyrimidin-5-yl)ethyl)benzoic acid

  • CAS No. 137281-39-1

  • Cat. No. CS-0109534
  • Purity≥98%
  • MDL No.MFCD09833742

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

4-(2-(2-Amino-4-oxo-4,7-dihydro-1H-pyrrolo[2,3-d]pyrimidin-5-yl)ethyl)benzoic acid|CS-0109534

Structure of 137281-39-1

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General Information

  • CAS No. 137281-39-1
  • Cat. No. CS-0109534
  • Purity ≥98%
  • MDL No. MFCD09833742
  • Storage 4°C, protect from light
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₅H₁₄N₄O₃
  • Molecular Weight 298.30
  • Synonym(s) None
  • SMILES O=C(O)C1=CC=C(CCC2=CNC(NC(N)=N3)=C2C3=O)C=C1

Synthesis

  • Route1
    • Ethyl 4-[3-(2,4-diamino-1,6-dihydro-6-oxo-5-pyrimidinyl)-4-nitrobutyl]benzoate|CS-1002924
      229470-22-8
    • ~96%
    • In-stock
      4-(2-(2-Amino-4-oxo-4,7-dihydro-1H-pyrrolo[2,3-d]pyrimidin-5-yl)ethyl)benzoic acid|CS-0109534
      137281-39-1

    References

    • The Trustees of Princeton University Patent: US6066732 A1, 2000 ;
  • Route2

    References

    • Journal of Organic Chemistry, , vol. 58, # 7 p. 1696 - 1701
  • Route3
    • null|null
      146943-27-3
    • ~%
    • In-stock
      4-(2-(2-Amino-4-oxo-4,7-dihydro-1H-pyrrolo[2,3-d]pyrimidin-5-yl)ethyl)benzoic acid|CS-0109534
      137281-39-1

    References

    • Journal of Organic Chemistry, , vol. 58, # 7 p. 1696 - 1701

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   124.86
  • LogP   1.3168
  • H_Acceptors   4
  • H_Donors   4
  • Rotatable_Bonds   4

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