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CS-W001157 4
Total: USD 88.00

Aceclofenac impurity 4

  • CAS No. 100499-89-6

  • Cat. No. CS-0531669
  • Molecule weight444.31
  • Purity≥98%
  • MDL No.MFCD17170095

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

Aceclofenac impurity 4|CS-0531669

Structure of 100499-89-6

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General Information

  • CAS No. 100499-89-6
  • Cat. No. CS-0531669
  • Purity ≥98%
  • MDL No. MFCD17170095
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₂₃H₁₉Cl₂NO₄
  • Molecular Weight 444.31
  • Synonym(s) Aceclofenac benzyl ester
  • SMILES O=C(OCC=1C=CC=CC1)COC(=O)CC=2C=CC=CC2NC=3C(Cl)=CC=CC3Cl

Description

A benzoic acid hydrazide analog that acts as a potent, irreversible, and specific inhibitor of the peroxidation activity of myeloperoxidase (MPO; IC50 = 300 nM). Does not inhibit catalase or glutathione peroxidase activities. Does not affect the production of superoxide by neutrophils. Shown to inhibit H2O2-induced apoptosis in HL-60, human leukemia cells.

Synthesis

  • Route1

    References

    • Journal of Crystallographic and Spectroscopic Research, , vol. 22, # 3 p. 323 - 328

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-P330-P362+P364-P405-P501

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Computational Chemistry Data

  • TPSA   64.63
  • LogP   5.5661
  • H_Acceptors   5
  • H_Donors   1
  • Rotatable_Bonds   8

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