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CS-W001157 4
Total: USD 88.00

4-[[(2-Amino-3,4-dihydro-4-oxo-6-pteridinyl)methyl](2,2,2-trifluoroacetyl)amino]benzoic acid

  • CAS No. 37793-53-6

  • Cat. No. CS-0011062
  • Molecule weight408.29
  • Purity≥95%
  • MDL No.MFCD00006707

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

4-[[(2-Amino-3,4-dihydro-4-oxo-6-pteridinyl)methyl](2,2,2-trifluoroacetyl)amino]benzoic acid|CS-0011062

Structure of 37793-53-6

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General Information

  • CAS No. 37793-53-6
  • Cat. No. CS-0011062
  • Purity ≥95%
  • MDL No. MFCD00006707
  • Storage Store at room temperature
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₆H₁₁F₃N₆O₄
  • Molecular Weight 408.29
  • Synonym(s) Benzoic acid, 4-[[(2-amino-1,4-dihydro-4-oxo-6-pteridinyl)methyl](trifluoroacetyl)amino]- (9CI); N10-(Trifluoroacetyl)pteroic acid
  • SMILES OC(C1=CC=C(N(C(C(F)(F)F)=O)CC2=NC3=C(N=C2)N=C(N)NC3=O)C=C1)=O

Synthesis

  • Route1
    • In-stock
      Pteroic acid|CS-M2878
      119-24-4
    • null|null
      407-25-0
    • ~%
    • In-stock
      4-[[(2-Amino-3,4-dihydro-4-oxo-6-pteridinyl)methyl](2,2,2-trifluoroacetyl)amino]benzoic acid|CS-0011062
      37793-53-6

    References

    • PURDUE RESEARCH FOUNDATION Patent: WO2008/98112 A2, 2008 ; Location in patent: Page/Page column 30-31 ;
  • Route2
    • (4-(((2-Amino-4-oxo-4,8-dihydropteridin-6-yl)methyl)amino)benzoyl)-L-glutamic acid|CS-0654075
      59-30-3
    • ~%
    • In-stock
      4-[[(2-Amino-3,4-dihydro-4-oxo-6-pteridinyl)methyl](2,2,2-trifluoroacetyl)amino]benzoic acid|CS-0011062
      37793-53-6

    References

    • Luo, Jin; Smith, Michael D.; Lantrip, Douglas A.; Wang, Susan; Fuchs Journal of the American Chemical Society, 1997 , vol. 119, # 42 p. 10004 - 10013
  • Route3
    • null|null
      197151-79-4
    • ~%
    • In-stock
      4-[[(2-Amino-3,4-dihydro-4-oxo-6-pteridinyl)methyl](2,2,2-trifluoroacetyl)amino]benzoic acid|CS-0011062
      37793-53-6

    References

    • Luo, Jin; Smith, Michael D.; Lantrip, Douglas A.; Wang, Susan; Fuchs Journal of the American Chemical Society, 1997 , vol. 119, # 42 p. 10004 - 10013

Safety Information

Download SDS
GHS Pictogram :
GHS No : GHS06,GHS08
Signal Word : Danger
UN#: 2811
Class : 6.1
Packing Group : Ⅲ
Hazard Statements : H302+H312+H332-H315-H319-H335-H350
Precautionary Statements : P261-P264-P270-P271-P280-P302+P352-P304+P340-P330-P362+P364-P405-P501

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Computational Chemistry Data

  • TPSA   155.16
  • LogP   1.089
  • H_Acceptors   7
  • H_Donors   3
  • Rotatable_Bonds   4

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