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Basic information
- CAS
162054-19-5- Standard SMILES
CS(=O)(=O)c1ccc(-n2nc(C(F)(F)F)cc2-c2ccc(F)cc2)cc1- InChIKey
JHBIMJKLBUMNAU-UHFFFAOYSA-N- Molecular formula
- C17H12F4N2O2S
- Average molar mass
- 384.354 g/mol
- Monoisotopic mass
- 384.0555615
Names & identifiers
- Preferred name
- 5-(4-fluorophenyl)-1-(4-(methylsulfonyl)phenyl)-3-(trifluoromethyl)-1H-Pyrazole
- IUPAC
- 5-(4-Fluorophenyl)-1-[4-(methanesulfonyl)phenyl]-3-(trifluoromethyl)-1H-pyrazole
- English name
- 1-[(4-Methylsulfonyl)phenyl]-3-trifluoromethyl-5-(4-fluorophenyl)pyrazole
- Molecular formula
- C17H12F4N2O2S
- Molecular weight
- 384.35
Names & synonyms
SC-58125SC-58125 ，E0789SC-58125, 10 mM in DMSO1-[(4-Methylsulfonyl)phenyl]-3-trifluoromethyl-5-(4-fluorophenyl)pyrazole5-(4-Fluorophenyl)-1-[4-(methylsulfonyl)phenyl]-3-(trifluoromethyl)pyrazole5-(4-Fluoro-phenyl)-1-(4-methanesulfonyl-phenyl)-3-trifluoromethyl-1H-pyrazole5-(4-Fluorophenyl)-1-[4-(methylsulfonyl)phenyl]-3-(trifluoromethyl)-1H-pyrazole1H-Pyrazole, 5-(4-fluorophenyl)-1-[4-(methylsulfonyl)phenyl]-3-(trifluoromethyl)-Cyclooxygenase,cancer,SC58125,COX,Inhibitor,SC-58125,inflammatory,antitumor,COX-2,edema,inhibit
Database identifiers
- CAS
162054-19-5- PubChem CID
- 115239
- DTXSID
DTXSID00167304- ChEMBL
CHEMBL274990- ChEBI
CHEBI:8983- UNII
- SVT5HFY7J5
- EC Number
- 664-277-5
- Nikkaji
- J642.701D
Properties
Physicochemical properties
- storage temp.
- 4 °C · Store at +4°C
- solubility
- 20 mg/mL · DMSO: ≥20mg/mL
- form
- powder
- color
- white to off-white
- InChI
- 1S/C17H12F4N2O2S/c1-26(24,25)14-8-6-13(7-9-14)23-15(10-16(22-23)17(19,20)21)11-2-4-12(18)5-3-11/h2-10H,1H3
- InChIKey
- JHBIMJKLBUMNAU-UHFFFAOYSA-N
- SMILES
- CS(=O)(=O)c1ccc(cc1)-n2nc(cc2-c3ccc(F)cc3)C(F)(F)F
- FDA UNII
- 5 HFY7J5 · SVT5HFY7J5
- UNSPSC Code
- 12352202 · 12352202
- NACRES
- 77 · NA.77
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 261 · P261-P280-P301+P312-P302+P352-P305+P351+P338
- Hazard Codes
- T
- Risk Statements
- 25 · 25
- Safety Statements
- 45 · 45-24/25-22
- WGK Germany
- 3 · 3
- Storage Class
- 11 · 11 - Combustible Solids
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- wgk
- 3
- risk_code
- 25
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- T
- safety_code
- 45-24/25-22
- Storage Class
- 11 - Combustible Solids
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P261-P280-P301+P312-P302+P352-P305+P351+P338
Chemistry & industry
Applications
UsesSC-58125 is a selective cyclooxygenase 2 (COX-2) inhibitor with anti-inflammatory properties. SC-58125 blocks edema and hyperalgesia without causing gastric mucosal damage. SC-58125 also displays anti tumor activity.
Suppliers22 total
阿诺西（上海）生物技术有限公司400-1107768 15058188853 · [email protected]
上海毕得医药科技股份有限公司400-1647117 13681763483 · [email protected]
武汉易泰科技有限公司上海分公司18930552037 · [email protected]
MedBio脉铂医药021-69568360 18916172912 · [email protected]
湖北魏氏化学试剂股份有限公司17771898297 13125137661 · [email protected]
广州爱纯医药科技有限公司020-39119399 18927568969 · [email protected]
天津普西唐生物医药科技有限公司010-60605840 · [email protected]
凯试（上海）科技有限公司021-50135380 · [email protected]
上海陶术生物科技股份有限公司+1-781-999-5354; +1-00000000000 · [email protected]
安耐吉化学&3A（安徽泽升科技股份有限公司）400-0056266 · [email protected]
上海药禾平生物医药科技有限公司57540919 13120888836 · [email protected]
上海源叶生物科技有限公司18916372613 · [email protected]
Related reactions
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Compound notes
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