| Identification | Back Directory | [Name]
Benzenesulfonamide, 4-[5-(2,4-difluorophenyl)-4,5-dihydro-3-(trifluoromethyl)-1H-pyrazol-1-yl]- | [CAS]
251442-94-1 | [Synonyms]
E6087
E-6087
E 6087
Enflicoxib
Benzenesulfonamide, 4-[5-(2,4-difluorophenyl)-4,5-dihydro-3-(trifluoromethyl)-1H-pyrazol-1-yl]- | [Molecular Formula]
C16H12F5N3O2S | [MOL File]
251442-94-1.mol | [Molecular Weight]
405.34 |
| Chemical Properties | Back Directory | [Boiling point ]
461.4±55.0 °C(Predicted) | [density ]
1.57±0.1 g/cm3(Predicted) | [storage temp. ]
Store at -20°C | [solubility ]
DMSO : 100 mg/mL (246.71 mM; ultrasonic and warming and heat to 60°C) | [form ]
Solid | [pka]
10.39±0.10(Predicted) | [color ]
White to off-white | [SMILES]
O=S(N)(C1=CC=C(N2N=C(C(F)(F)F)CC2C3=CC=C(C=C3F)F)C=C1)=O |
| Safety Data | Back Directory | [WGK Germany ]
WGK 3 | [Storage Class]
11 - Combustible Solids | [Hazard Classifications]
Acute Tox. 4 Oral
STOT RE 2 |
| Hazard Information | Back Directory | [Uses]
Enflicoxib (E 6087) is a nonsteroidal anti-inflammatory compound that selectively inhibits cyclooxygenase-2 (COX-2).?Enflicoxib does not inhibit cyclooxygenase-1 (COX-1). E-6087 shows anti-inflammatory, analgesic and antipyretic activities in animal models[1]. | [Biological Activity]
Orally availablepotent and selective cyclooxygenase 2 (COX-2) inhibitor | [in vivo]
E-6132, one of Enflicoxib (E-6087) metabolites, also inhibits COX-2.?After single oral administration of 5 mg/kg of E-6087 to rats, plasma concentrations of Enflicoxib at peak time are higher than those of E-6132, suggesting that activity is mainly due to Enflicoxib[1].
Enflicoxib (E-6087) is characterized by a long elimination half-life (20-35 h), a low plasma clearance (0.10-0.22 L/h/kg) and a relatively large volume of distribution (2-6 L/kg) in rats and dogs after single oral and intravenous doses. Enflicoxib and E-6132 (a pharmacologically active metabolite) show different pharmacokinetics. The higher percentage of Enflicoxib at early times suggests that Enflicoxib is the main compound responsible for in vivo activity, although E-6132 would contribute to the activity at later times[2]. | Animal Model: | Male and female Wistar rats (250 g)[1] | | Dosage: | 5 mg/kg | | Administration: | Administered by gastric gavage (10 mL/kg); a single oral dose | | Result: | Plasma concentrations of E-6087 at peak time are higher than those of E-6132.
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| [IC 50]
COX-2 | [References]
[1] Carlos Pérez-Maseda,?et al. Determination of enantiomeric purity of a novel COX-2 anti-inflammatory drug by capillary electrophoresis using single and dual cyclodextrin systems. Electrophoresis.?2003 May;24(9):1416-21. DOI:10.1002/elps.200390182
[2] R F Reinoso,?et al. Pharmacokinetics of E-6087, a new anti-inflammatory agent, in rats and dogs. Biopharm Drug Dispos.?2001 Sep;22(6):231-42. DOI:10.1002/bdd.258 |
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| Company Name: |
Merck KGaA
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| Tel: |
21-20338288 |
| Website: |
www.sigmaaldrich.cn |
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