COX-2-IN-1

Modify Date: 2025-08-25 23:51:12

COX-2-IN-1 Structure
COX-2-IN-1 structure
Common Name COX-2-IN-1
CAS Number 787623-48-7 Molecular Weight 442.843
Density 1.6±0.1 g/cm3 Boiling Point 610.8±65.0 °C at 760 mmHg
Molecular Formula C18H14ClF3N4O2S Melting Point N/A
MSDS N/A Flash Point 323.2±34.3 °C

 Use of COX-2-IN-1


COX-2-IN-1 is potent and slective COX-2 inhibitor with an IC50 of 3.9 μM.

 Names

Name COX-2-IN-1
Synonym More Synonyms

 COX-2-IN-1 Biological Activity

Description COX-2-IN-1 is potent and slective COX-2 inhibitor with an IC50 of 3.9 μM.
Related Catalog
Target

COX-2:3.9 μM (IC50)

In Vitro COX-2-IN-1(compound 5f) is an inhibitor of COX-1 and COX-2 with IC50s of >100 and 3.9 μM, respctively. Comparison of 5b and COX-2-IN-1 shows that smaller halogen atom at 5th position on the indole ring enhances COX-2 enzyme inhibition activity, whereas the presence of a larger bromine atom at 6th position of the ring improves the inhibitory activity (5d, 5e and 5h) of the compound[1].
References

[1]. Reddy MV, et al. Design, synthesis, and biological evaluation of 1-(4-sulfamylphenyl)-3-trifluoromethyl-5-indolyl pyrazolines as cyclooxygenase-2 (COX-2) and lipoxygenase (LOX) inhibitors. Bioorg Med Chem. 2008 Apr 1;16(7):3907-16.

 Chemical & Physical Properties

Density 1.6±0.1 g/cm3
Boiling Point 610.8±65.0 °C at 760 mmHg
Molecular Formula C18H14ClF3N4O2S
Molecular Weight 442.843
Flash Point 323.2±34.3 °C
Exact Mass 442.047821
LogP 3.17
Vapour Pressure 0.0±1.8 mmHg at 25°C
Index of Refraction 1.682
InChIKey NDGPUMDPTVGJCG-UHFFFAOYSA-N
SMILES NS(=O)(=O)c1ccc(N2N=C(C(F)(F)F)CC2c2c[nH]c3c(Cl)cccc23)cc1

 Synonyms

Benzenesulfonamide, 4-[5-(7-chloro-1H-indol-3-yl)-4,5-dihydro-3-(trifluoromethyl)-1H-pyrazol-1-yl]-
4-[5-(7-Chloro-1H-indol-3-yl)-3-(trifluoromethyl)-4,5-dihydro-1H-pyrazol-1-yl]benzenesulfonamide
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