ChemicalBook--->CAS DataBase List--->170569-86-5

170569-86-5

170569-86-5 Structure

170569-86-5 Structure
IdentificationBack Directory
[Name]

4-[5-(4-CHLOROPHENYL)-3-(TRIFLUOROMETHYL)-1H-PYRAZOL-1-YL]BENZENESULFONAMIDE
[CAS]

170569-86-5
[Synonyms]

SC-236
SC-58236
SC 236 - SC 58236
4-[5-(4-CHLOROPHENYL)-3-(TRIFLUOROMETHYL)PYRAZOL-1-YL]BENZENESULFONAMIDE
4-[5-(4-CHLOROPHENYL)-3-(TRIFLUOROMETHYL)-1H-PYRAZOL-1-YL]BENZENESULFONAMIDE
Benzenesulfonamide, 4-[5-(4-chlorophenyl)-3-(trifluoromethyl)-1H-pyrazol-1-yl]-
[Molecular Formula]

C16H11ClF3N3O2S
[MDL Number]

MFCD00941297
[MOL File]

170569-86-5.mol
[Molecular Weight]

401.79
Chemical PropertiesBack Directory
[Melting point ]

146-148°C
[Boiling point ]

543.4±60.0 °C(Predicted)
[density ]

1.54±0.1 g/cm3(Predicted)
[storage temp. ]

2-8°C
[solubility ]

DMSO: >20mg/mL
[form ]

powder
[pka]

9.66±0.10(Predicted)
[color ]

white to off-white
[InChI]

1S/C16H11ClF3N3O2S/c17-11-3-1-10(2-4-11)14-9-15(16(18,19)20)22-23(14)12-5-7-13(8-6-12)26(21,24)25/h1-9H,(H2,21,24,25)
[InChIKey]

NSQNZEUFHPTJME-UHFFFAOYSA-N
[SMILES]

NS(=O)(=O)c1ccc(cc1)-n2nc(cc2-c3ccc(Cl)cc3)C(F)(F)F
Safety DataBack Directory
[Hazard Codes ]

T
[Risk Statements ]

25
[Safety Statements ]

45
[RIDADR ]

UN 2811 6.1 / PGIII
[WGK Germany ]

3
[Storage Class]

6.1C - Combustible acute toxic Cat.3
toxic compounds or compounds which causing chronic effects
[Hazard Classifications]

Acute Tox. 3 Oral
Hazard InformationBack Directory
[Chemical Properties]

4-[5-(4-CHLOROPHENYL)-3-(TRIFLUOROMETHYL)-1H-PYRAZOL-1-YL]BENZENESULFONAMIDE is White Solid
[Uses]

4-[5-(4-CHLOROPHENYL)-3-(TRIFLUOROMETHYL)-1H-PYRAZOL-1-YL]BENZENESULFONAMIDE is a highly selective and potent cyclooxygenase-2 inhibitor which has been shown to induce apoptosis in gastric cells via down-regulation of Akt and then release of cytochrome c. Its anti-inflammatory ef fects allows for potential use in therapy for inflammatory allergic diseases.
[Biological Activity]

Selective COX-2 inhibitor (IC 50 values are 0.005 and 17.8 μ M for COX-2 and COX-1 respectively). Displays anti-inflammatory properties and potent antimetastatic activity against both experimental metastases and spontaneous metastases arising following primary tumor excision.
[Biochem/physiol Actions]

SC-236 exhibits anti-tumor activity in gastric cancer cells by modulating activator protein-1 (AP-1) expression and by blocking the anchorage-independent cell growth. It also exhibits a protective effect against cartilage damage by minimizing the inflammation and pain in osteoarthritis. It is also reported to treat allergic inflammation.
[storage]

Store at RT
Spectrum DetailBack Directory
[Spectrum Detail]

4-[5-(4-CHLOROPHENYL)-3-(TRIFLUOROMETHYL)-1H-PYRAZOL-1-YL]BENZENESULFONAMIDE(170569-86-5)1HNMR
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