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Home > Products > Pharmaceutical R&D Materials > Heterocyclic Building Blocks > 1-[(4-methylsulfonyl)phenyl]-3-trifluoromethyl-5-(4-fluorophenyl)pyrazole
1-[(4-methylsulfonyl)phenyl]-3-trifluoromethyl-5-(4-fluorophenyl)pyrazole structure, CAS 162054-19-5

1-[(4-methylsulfonyl)phenyl]-3-trifluoromethyl-5-(4-fluorophenyl)pyrazole

CAS Number162054-19-5

Synonyms5-(4-Fluorophenyl)-1-[4-(methylsulfonyl)phenyl]-3-(trifluoromethyl)pyrazole; 5-(4-Fluorophenyl)-1-[4-(methylsulfonyl)phenyl]-3-(trifluoromethyl)-1H-pyrazole; 5-(4-fluorophenyl)-1-(4-methylsulfonylphenyl)-3-(trifluoromethyl)pyrazole

Molecular FormulaC17H12O2N2S1F4

Molecular Weight384.35

Purity

Density1.4±0.1 g/cm3

Boiling Point512.6±50.0 °C at 760 mmHg

Melting Point

Flash Point

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Cat. No.: 2A-9083148 Purity:
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Quality Control of [ 162054-19-5 ] SDS Specification MoL

COA NMR CNMR HPLC LC-MS
Chemical & Physical Properties
CAS Number162054-19-5
Catalog No.2A-9083148
Chinese Name1-[(4-甲基磺酰基)苯基]-3-三氟甲基-5-(4-氟苯基)吡唑
Synonyms5-(4-Fluorophenyl)-1-[4-(methylsulfonyl)phenyl]-3-(trifluoromethyl)pyrazole; 5-(4-Fluorophenyl)-1-[4-(methylsulfonyl)phenyl]-3-(trifluoromethyl)-1H-pyrazole; 5-(4-fluorophenyl)-1-(4-methylsulfonylphenyl)-3-(trifluoromethyl)pyrazole
Molecular FormulaC17H12O2N2S1F4
Molecular Weight384.35
Density1.4±0.1 g/cm3
Boiling Point512.6±50.0 °C at 760 mmHg
Storage Condition-20°C, protected from light, dry, sealed
ApplicationSC-58125 is a potent and selective inhibitor of cyclooxygenase 2 (COX-2) with an IC50 value of 0.04 μM. SC-58125 exhibits anti-tumor activity both in vitro and in vivo, and can also inhibit edema at i
HTC2933199090
MDL NumberMFCD00930300
SMILESCS(=O)(=O)c1ccc(-n2nc(C(F)(F)F)cc2-c2ccc(F)cc2)cc1
InChI KeyJHBIMJKLBUMNAU-UHFFFAOYSA-N
Hazard Symbolstransportation
MSDSmsds/83148_1_162054_19_5.pdf
BioactivitySC-58125 is a potent and selective inhibitor of cyclooxygenase 2 (COX-2), with an IC50 of 0.04 μM. SC-58125 exhibits antitumor activity in vitro and in vivo, and it also can inhibit edema at the inflammatory site and is analgesic[1][2][3]. Related Catalog Research Areas >> Cancer Research Areas >> Inflammation/Immunology Signaling Pathways >> Immunology/Inflammation >> COX Target hCOX-2:0.04 μM (IC50) hCOX-1:>100 μM (IC50) In Vitro SC-58125 (0.001-100 μM) has a high degree of selectivity for the inducible form of COX-2 (IC50=1 μM) over the COX-1 (IC50>100 μM)[1]. SC-58125 (10 μM; 20-140 s) is time-dependent and is complete by 1 min, with a half-maximal inhibition at 20 s[1]. SC-58125 (25-100 μM; 3 d) inhibits the in vitro growth of HCA-7 and LLC cells[3]. SC-58125 (100 µM; 12 h) induces G2 arrest in LLC cells[3]. SC-58125 (25-100 μM; 3 d) decreases p34cdc2 levels in HCA-7 cells[3]. SC-58125 (100 µM; 24 or 72 h) does not induce apoptosis of HCA-7 and LLC cells[3]. Cell Proliferation Assay[3] Cell Line: HCA-7 and LLC cells Concentration: 0, 25, 50, 100 μM Incubation Time: 3 days Result: Reduced the cell number and MTT activity in both cell lines in a dose-dependent manner. Cell Cycle Analysis[3] Cell Line: LLC cells Concentration: 100 μM Incubation Time: 12 hours Result: Increased in the number of cells containing 4n DNA content in a dose- and time-dependent manner. Reduced the number of mitotic figures. Western Blot Analysis[3] Cell Line: HCA-7 cells Concentration: 0, 25, 50, 100 μM Incubation Time: 3 days Result: Resulted in a dose-dependent decrease in p34cdc2 activity with strong inhibition, even at the lowest concentration. In Vivo SC-58125 (10 mg/kg; i.p. every 48 h) inhibits the growth of established colorectal cancer xenografts in mice[3]. SC-58125 (10 mg/kg; a single i.p.) reduces tumor PGE2 levels in mice[3]. SC-58125 (10 mg/kg; a single i.p.) does not change the tumor levels of COX-1 and COX-2 protein in mice[3]. Animal Model: Athymic Sprague-Dawley mice are injected HCA-7 cells[3] Dosage: 10 mg/kg Administration: I.p. every 48 h; at the time of tumor implantation or 2 and 4 weeks later Result: Decreased the tumor growth rates significantly. References [1]. Gierse JK, et, al. A single amino acid difference between cyclooxygenase-1 (COX-1) and -2 (COX-2) reverses the selectivity of COX-2 specific inhibitors. J Biol Chem. 1996 Jun 28; 271(26): 15810-4. [2]. Seibert K, et, al. Pharmacological and biochemical demonstration of the role of cyclooxygenase 2 in inflammation and pain. Proc Natl Acad Sci U S A. 1994 Dec 6; 91(25): 12013-7. [3]. Williams CS, et, al. A cyclooxygenase-2 inhibitor (SC-58125) blocks growth of established human colon cancer xenografts. Neoplasia. Sep-Oct 2001; 3(5): 428-36. Chemical & Physical Properties Density 1.4±0.1 g/cm3 Boiling Point 512.6±50.0 °C at 760 mmHg Molecular Formula C17H12F4N2O2S Molecular Weight 384.348 Flash Point 263.8±30.1 °C Exact Mass 384.055573 PSA 60.34000 LogP 3.86 Vapour Pressure 0.0±1.3 mmHg at 25°C Index of Refraction 1.573 InChIKey JHBIMJKLBUMNAU-UHFFFAOYSA-N SMILES CS(=O)(=O)c1ccc(-n2nc(C(F)(F)F)cc2-c2ccc(F)cc2)cc1
Use ofSC-58125 is a potent and selective inhibitor of cyclooxygenase 2 (COX-2), with an IC50 of 0.04 μM. SC-58125 exhibits antitumor activity in vitro and in vivo, and it also can inhibit edema at the inflammatory site and is analgesic[1][2][3]. Properties Articles23 Name sc-58125 Synonym More Synonyms SC-58125 Biological Activity Description SC-58125 is a potent and selective inhibitor of cyclooxygenase 2 (COX-2), with an IC50 of 0.04 μM. SC-58125 exhibits antitumor activity in vitro and in vivo, and it also can inhibit edema at the inflammatory site and is analgesic[1][2][3]. Related Catalog Research Areas >> Cancer Research Areas >> Inflammation/Immunology Signaling Pathways >> Immunology/Inflammation >> COX hCOX-2:0.04 μM (IC50) hCOX-1:>100 μM (IC50) References [1]. Gierse JK, et, al. A single amino acid difference between cyclooxygenase-1 (COX-1) and -2 (COX-2) reverses the selectivity of COX-2 specific inhibitors. J Biol Chem. 1996 Jun 28; 271(26): 15810-4. [2]. Seibert K, et, al. Pharmacological and biochemical demonstration of the role of cyclooxygenase 2 in inflammation and pain. Proc Natl Acad Sci U S A. 1994 Dec 6; 91(25): 12013-7. [3]. Williams CS, et, al. A cyclooxygenase-2 inhibitor (SC-58125) blocks growth of established human colon cancer xenografts. Neoplasia. Sep-Oct 2001; 3(5): 428-36. Chemical & Physical Properties Molecular Formula C17H12F4N2O2S Exact Mass 384.055573 PSA 60.34000 Index of Refraction 1.573 InChIKey JHBIMJKLBUMNAU-UHFFFAOYSA-N
Tax Rebate13.0%
SupervisionNone. MFN tariff: 6.5%. Ordinary tariff: 20.0%
Transport InfoProduct name: Purity: 98.0%
MSDS Transport InfoModule 14. Shipping information 14.1 UN number European Dangerous Regulations for land transport: 2811 International Dangerous Regulations for sea transport: 2811 International Dangerous Regulations for air transport: 2811 14.2 Names specified by the United Nations (UN) European Land Transport Dangerous Regulations: TOXIC SOLID, ORGANIC, N.O.S. (SC-58125) IMDG Code: TOXIC SOLID, ORGANIC, N.O.S. (SC-58125) International air transport hazard code: Toxic solid, organic, n.o.s. (SC-58125) 14.3 Transport hazard categories European Land Transport Danger Regulations: 6.1 International Maritime Transport Danger Regulations: 6.1 International Air Transport Danger Regulations: 6.1 14.4 Package group European Land Transport Danger Regulations: III International Maritime Transport Danger Regulations: III International Air Transport Danger Regulations: III 14.5 Environmental hazards European Land Transport Dangerous Regulations: No International Maritime Transport Dangerous Regulations Maritime Pollutants: No International Air Transport Risk Regulations: No 14.6 Special precautions for users No data available
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