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CS-W001157 4
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4-(2-Carboxy-1-(2,4-diaminopteridin-6-yl)pent-4-yn-2-yl)benzoic acid

  • CAS No. 146464-92-8

  • Cat. No. CS-M2254
  • Purity≥97%
  • MDL No.MFCD09833978

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

4-(2-Carboxy-1-(2,4-diaminopteridin-6-yl)pent-4-yn-2-yl)benzoic acid|CS-M2254

Structure of 146464-92-8

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General Information

  • CAS No. 146464-92-8
  • Cat. No. CS-M2254
  • Purity ≥97%
  • MDL No. MFCD09833978
  • Storage 4°C, stored under nitrogen
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₉H₁₆N₆O₄
  • Molecular Weight 392.37
  • Synonym(s) 4-[2-carboxy-1-(2,4-diaminopteridin-6-yl)pent-4-yn-2-yl]benzoic acid
  • SMILES O=C(O)C1=CC=C(C(CC#C)(C(O)=O)CC2=NC3=C(N)N=C(N)N=C3N=C2)C=C1

Synthesis

  • Route1

    References

    • ALLOS THERAPEUTICS, INC. Patent: US2011/190305 A1, 2011 ;
  • Route2

    References

    • Vaidya, Chitra M.; Wright, Joel E.; Rosowsky, Andre Journal of Medicinal Chemistry, 2002 , vol. 45, # 8 p. 1690 - 1696

Safety Information

Download SDS
GHS Pictogram :
GHS No : GHS06,GHS08
Signal Word : Danger
UN#: 2811
Class : 6.1
Packing Group : Ⅲ
Hazard Statements : H301-H360
Precautionary Statements : P264-P270-P330-P405-P501

Quality Control

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Computational Chemistry Data

  • TPSA   178.2
  • LogP   0.8708
  • H_Acceptors   8
  • H_Donors   4
  • Rotatable_Bonds   6

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