162054-19-5,MFCD00930300
Catalog No.:AA001SLV

162054-19-5 | 1H-Pyrazole, 5-(4-fluorophenyl)-1-[4-(methylsulfonyl)phenyl]-3-(trifluoromethyl)-

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1mg
≥98%
in stock  
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5mg
≥98%
in stock  
$96.00   $67.00
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10mg
≥98%
in stock  
$169.00   $118.00
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25mg
≥98%
in stock  
$368.00   $257.00
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  • Technical Information
  • Properties
  • Downstream Synthesis Route
  • Literature
  • Request for Quotation
  • Download SDS
Technical Information
Catalog Number:
AA001SLV
Chemical Name:
1H-Pyrazole, 5-(4-fluorophenyl)-1-[4-(methylsulfonyl)phenyl]-3-(trifluoromethyl)-
CAS Number:
162054-19-5
Molecular Formula:
C17H12F4N2O2S
Molecular Weight:
384.3480
MDL Number:
MFCD00930300
SMILES:
Fc1ccc(cc1)c1cc(nn1c1ccc(cc1)S(=O)(=O)C)C(F)(F)F
Properties
Computed Properties
 
Complexity:
577  
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0  
Defined Bond Stereocenter Count:
0  
Formal Charge:
0  
Heavy Atom Count:
26  
Hydrogen Bond Acceptor Count:
7  
Hydrogen Bond Donor Count:
0  
Isotope Atom Count:
0  
Rotatable Bond Count:
3  
Undefined Atom Stereocenter Count:
0  
Undefined Bond Stereocenter Count:
0  
XLogP3:
3.8  

Downstream Synthesis Route
72307-52-9    17852-67-4   
5-(4-fluorophenyl)-1-4-(methylsulfonyl)phenyl-3-trifluoromethyl-1H-pyrazole 

[1]Patent:EP2246332,2010,A1.Locationinpatent:Page/Pagecolumn10-11

Literature

Title: Discovery of dual target inhibitors against cyclooxygenases and leukotriene A4 hydrolyase.

Journal: Journal of medicinal chemistry 20110526

Title: Inhibition of cyclooxygenase-2 impairs the expression of essential plasma cell transcription factors and human B-lymphocyte differentiation.

Journal: Immunology 20100101

Title: Gastric and small bowel ileus after severe burn in rats: the effect of cyclooxygenase-2 inhibitors.

Journal: Burns : journal of the International Society for Burn Injuries 20091201

Title: Identification and optimisation of a novel series of pyrimidine based cyclooxygenase-2 (COX-2) inhibitors. Utilisation of a biotransformation approach.

Journal: Bioorganic & medicinal chemistry letters 20090801

Title: Ibuprofen and other widely used non-steroidal anti-inflammatory drugs inhibit antibody production in human cells.

Journal: Cellular immunology 20090101

Title: The non-steroidal anti-inflammatory drugs protect mouse cochlea against acoustic injury.

Journal: The Tohoku journal of experimental medicine 20080901

Title: Prostaglandin I2 plays a key role in zymosan-induced mouse pleurisy.

Journal: The Journal of pharmacology and experimental therapeutics 20080501

Title: Cyclooxygenase-2 independent effects of cyclooxygenase-2 inhibitors on oxidative stress and intracellular glutathione content in normal and malignant human B-cells.

Journal: Cancer immunology, immunotherapy : CII 20080301

Title: CpG oligodeoxynucleotides induce cyclooxygenase-2 in human B lymphocytes: implications for adjuvant activity and antibody production.

Journal: Clinical immunology (Orlando, Fla.) 20071101

Title: Cyclooxygenase-2 activity following traumatic brain injury in the developing rat.

Journal: Pediatric research 20070901

Title: [Effects of selective cyclooxygenase-2 inhibitor on proliferation and apoptosis of human bladder cancer cell line T24].

Journal: Ai zheng = Aizheng = Chinese journal of cancer 20070401

Title: Intrathecally administered COX-2 but not COX-1 or COX-3 inhibitors attenuate streptozotocin-induced mechanical hyperalgesia in rats.

Journal: European journal of pharmacology 20070105

Title: Cyclooxygenase-2 inhibition attenuates antibody responses against human papillomavirus-like particles.

Journal: Journal of immunology (Baltimore, Md. : 1950) 20061201

Title: Myocardial protection by pioglitazone, atorvastatin, and their combination: mechanisms and possible interactions.

Journal: American journal of physiology. Heart and circulatory physiology 20060901

Title: Constitutive and activation-inducible cyclooxygenase-2 expression enhances survival of chronic lymphocytic leukemia B cells.

Journal: Clinical immunology (Orlando, Fla.) 20060701

Title: Ascorbic acid enhances the inhibitory effect of aspirin on neuronal cyclooxygenase-2-mediated prostaglandin E2 production.

Journal: Journal of neuroimmunology 20060501

Title: Cyclooxygenase isozymes are expressed in human myeloma cells but not involved in anti-proliferative effect of cyclooxygenase inhibitors.

Journal: Molecular carcinogenesis 20060401

Title: COX-2 up-regulation and vascular smooth muscle contractile hyperreactivity in spontaneous diabetic db/db mice.

Journal: Cardiovascular research 20050901

Title: Cyclooxygenase-2 expression is induced in rat brain after kainate-induced seizures and promotes neuronal death in CA3 hippocampus.

Journal: Brain research 20050719

Title: The dual role of prostaglandin E(2) in excitotoxicity and preconditioning-induced neuroprotection.

Journal: European journal of pharmacology 20050704

Title: The anti-invasive activity of cyclooxygenase inhibitors is regulated by the transcription factor ATF3 (activating transcription factor 3).

Journal: Molecular cancer therapeutics 20050501

Title: Translational studies on aromatase, cyclooxygenases, and enzyme inhibitors in breast cancer.

Journal: The Journal of steroid biochemistry and molecular biology 20050501

Title: The cyclooxygenase inhibitor indomethacin modulates gene expression and represses the extracellular matrix protein laminin gamma1 in human glioblastoma cells.

Journal: Experimental cell research 20050115

Title: Inhibitory effects of Celecoxib and Sc-58125 on proliferation of human carcinoma of larynx Hep-2 in vitro.

Journal: Journal of Huazhong University of Science and Technology. Medical sciences = Hua zhong ke ji da xue xue bao. Yi xue Ying De wen ban = Huazhong keji daxue xuebao. Yixue Yingdewen ban 20050101

Title: Cyclooxygenase-2 activity contributes to neuronal expression of cyclin D1 after anoxia/ischemia in vitro and in vivo.

Journal: Brain research. Molecular brain research 20041206

Title: Cyclooxygenase-2-derived endogenous prostacyclin enhances mouse embryo hatching.

Journal: Human reproduction (Oxford, England) 20041201

Title: Death receptor regulation and celecoxib-induced apoptosis in human lung cancer cells.

Journal: Journal of the National Cancer Institute 20041201

Title: Decreased susceptibility to renovascular hypertension in mice lacking the prostaglandin I2 receptor IP.

Journal: The Journal of clinical investigation 20040915

Title: COX-2 Regulates the insulin-like growth factor I-induced potentiation of Zn(2+)-toxicity in primary cortical culture.

Journal: Molecular pharmacology 20040901

Title: Inhibition of cyclooxygenase-1 and -2 expression by targeting the endothelin a receptor in human ovarian carcinoma cells.

Journal: Clinical cancer research : an official journal of the American Association for Cancer Research 20040715

Title: Opposing effects of cyclooxygenase-2 selective inhibitors on oxygen-glucose deprivation-induced neurotoxicity.

Journal: European journal of pharmacology 20040616

Title: Gene modulation by Cox-1 and Cox-2 specific inhibitors in human colorectal carcinoma cancer cells.

Journal: Carcinogenesis 20040301

Title: COX-2 inhibition results in alterations in nuclear factor (NF)-kappaB activation but not cytokine production in acute pancreatitis.

Journal: Journal of gastrointestinal surgery : official journal of the Society for Surgery of the Alimentary Tract 20040101

Title: Intestinal transformation results in transforming growth factor-beta-dependent alteration in tumor cell-cell matrix interactions.

Journal: Surgery 20030501

Title: NS-398: cyclooxygenase-2 independent inhibition of leukocyte priming for lipid body formation and enhanced leukotriene generation.

Journal: Prostaglandins, leukotrienes, and essential fatty acids 20021001

Title: Up-regulation of prostaglandin E2 synthesis by interleukin-1beta in human orbital fibroblasts involves coordinate induction of prostaglandin-endoperoxide H synthase-2 and glutathione-dependent prostaglandin E2 synthase expression.

Journal: The Journal of biological chemistry 20020510

Title: Radiosynthesis, in vitro validation, and in vivo evaluation of 18F-labeled COX-1 and COX-2 inhibitors.

Journal: Journal of nuclear medicine : official publication, Society of Nuclear Medicine 20020101

Title: Molecular modelling of the differential interaction between several non-steroidal anti-inflammatory drugs and human prostaglandin endoperoxide H synthase-2 (h-PGHS-2).

Journal: Journal of molecular graphics & modelling 20020101

Title: Three-dimensional quantitative structure-activity relationships of cyclo-oxygenase-2 (COX-2) inhibitors: a comparative molecular field analysis.

Journal: Journal of medicinal chemistry 20010927

Title: A cyclooxygenase-2 inhibitor (SC-58125) blocks growth of established human colon cancer xenografts.

Journal: Neoplasia (New York, N.Y.) 20010901

Title: The acute antihyperalgesic action of nonsteroidal, anti-inflammatory drugs and release of spinal prostaglandin E2 is mediated by the inhibition of constitutive spinal cyclooxygenase-2 (COX-2) but not COX-1.

Journal: The Journal of neuroscience : the official journal of the Society for Neuroscience 20010815

Title: Key role for constitutive cyclooxygenase-2 of MDCK cells in basal signaling and response to released ATP.

Journal: American journal of physiology. Cell physiology 20010801

Title: Heme oxygenase-1 induction by nitric oxide in RAW 264.7 macrophages is upregulated by a cyclo-oxygenase-2 inhibitor.

Journal: Biochimica et biophysica acta 20010403

Title: Aspirin, but not the more selective cyclooxygenase (COX)-2 inhibitors meloxicam and SC 58125, aggravates postischaemic cardiac dysfunction, independent of COX function.

Journal: Naunyn-Schmiedeberg's archives of pharmacology 20010201

Title: Par-4, a proapoptotic gene, is regulated by NSAIDs in human colon carcinoma cells.

Journal: Gastroenterology 20000601

Title: Modulation of apoptosis and Bcl-2 expression by prostaglandin E2 in human colon cancer cells.

Journal: Cancer research 19980115

Title: Biochemical and pharmacological profile of a tetrasubstituted furanone as a highly selective COX-2 inhibitor.

Journal: British journal of pharmacology 19970501

Title: Effect of structural modification of enol-carboxamide-type nonsteroidal antiinflammatory drugs on COX-2/COX-1 selectivity.

Journal: Journal of medicinal chemistry 19970314

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SDS
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Tags:162054-19-5 Molecular Formula|162054-19-5 MDL|162054-19-5 SMILES|162054-19-5 1H-Pyrazole, 5-(4-fluorophenyl)-1-[4-(methylsulfonyl)phenyl]-3-(trifluoromethyl)-
Catalog No.: AA001SLV
162054-19-5,MFCD00930300
162054-19-5 | 1H-Pyrazole, 5-(4-fluorophenyl)-1-[4-(methylsulfonyl)phenyl]-3-(trifluoromethyl)-
Pack Size: 1mg
Purity: ≥98%
in stock
$25.00 $17.00
Pack Size: 5mg
Purity: ≥98%
in stock
$96.00 $67.00
Pack Size: 10mg
Purity: ≥98%
in stock
$169.00 $118.00
Pack Size: 25mg
Purity: ≥98%
in stock
$368.00 $257.00
Quantity
- +
Add to Card
Order Now
bulk Quotation Request
Technical Information
Catalog Number: AA001SLV
Chemical Name: 1H-Pyrazole, 5-(4-fluorophenyl)-1-[4-(methylsulfonyl)phenyl]-3-(trifluoromethyl)-
CAS Number: 162054-19-5
Molecular Formula: C17H12F4N2O2S
Molecular Weight: 384.3480
MDL Number: MFCD00930300
SMILES: Fc1ccc(cc1)c1cc(nn1c1ccc(cc1)S(=O)(=O)C)C(F)(F)F
Properties
Complexity: 577  
Covalently-Bonded Unit Count: 1  
Defined Atom Stereocenter Count: 0  
Defined Bond Stereocenter Count: 0  
Formal Charge: 0  
Heavy Atom Count: 26  
Hydrogen Bond Acceptor Count: 7  
Hydrogen Bond Donor Count: 0  
Isotope Atom Count: 0  
Rotatable Bond Count: 3  
Undefined Atom Stereocenter Count: 0  
Undefined Bond Stereocenter Count: 0  
XLogP3: 3.8  
Downstream Synthesis Route
72307-52-9    17852-67-4   
5-(4-fluorophenyl)-1-4-(methylsulfonyl)phenyl-3-trifluoromethyl-1H-pyrazole 

[1]Patent:EP2246332,2010,A1.Locationinpatent:Page/Pagecolumn10-11

Literature fold

Title: Discovery of dual target inhibitors against cyclooxygenases and leukotriene A4 hydrolyase.

Journal: Journal of medicinal chemistry20110526

Title: Inhibition of cyclooxygenase-2 impairs the expression of essential plasma cell transcription factors and human B-lymphocyte differentiation.

Journal: Immunology20100101

Title: Gastric and small bowel ileus after severe burn in rats: the effect of cyclooxygenase-2 inhibitors.

Journal: Burns : journal of the International Society for Burn Injuries20091201

Title: Identification and optimisation of a novel series of pyrimidine based cyclooxygenase-2 (COX-2) inhibitors. Utilisation of a biotransformation approach.

Journal: Bioorganic & medicinal chemistry letters20090801

Title: Ibuprofen and other widely used non-steroidal anti-inflammatory drugs inhibit antibody production in human cells.

Journal: Cellular immunology20090101

Title: The non-steroidal anti-inflammatory drugs protect mouse cochlea against acoustic injury.

Journal: The Tohoku journal of experimental medicine20080901

Title: Prostaglandin I2 plays a key role in zymosan-induced mouse pleurisy.

Journal: The Journal of pharmacology and experimental therapeutics20080501

Title: Cyclooxygenase-2 independent effects of cyclooxygenase-2 inhibitors on oxidative stress and intracellular glutathione content in normal and malignant human B-cells.

Journal: Cancer immunology, immunotherapy : CII20080301

Title: CpG oligodeoxynucleotides induce cyclooxygenase-2 in human B lymphocytes: implications for adjuvant activity and antibody production.

Journal: Clinical immunology (Orlando, Fla.)20071101

Title: Cyclooxygenase-2 activity following traumatic brain injury in the developing rat.

Journal: Pediatric research20070901

Title: [Effects of selective cyclooxygenase-2 inhibitor on proliferation and apoptosis of human bladder cancer cell line T24].

Journal: Ai zheng = Aizheng = Chinese journal of cancer20070401

Title: Intrathecally administered COX-2 but not COX-1 or COX-3 inhibitors attenuate streptozotocin-induced mechanical hyperalgesia in rats.

Journal: European journal of pharmacology20070105

Title: Cyclooxygenase-2 inhibition attenuates antibody responses against human papillomavirus-like particles.

Journal: Journal of immunology (Baltimore, Md. : 1950)20061201

Title: Myocardial protection by pioglitazone, atorvastatin, and their combination: mechanisms and possible interactions.

Journal: American journal of physiology. Heart and circulatory physiology20060901

Title: Constitutive and activation-inducible cyclooxygenase-2 expression enhances survival of chronic lymphocytic leukemia B cells.

Journal: Clinical immunology (Orlando, Fla.)20060701

Title: Ascorbic acid enhances the inhibitory effect of aspirin on neuronal cyclooxygenase-2-mediated prostaglandin E2 production.

Journal: Journal of neuroimmunology20060501

Title: Cyclooxygenase isozymes are expressed in human myeloma cells but not involved in anti-proliferative effect of cyclooxygenase inhibitors.

Journal: Molecular carcinogenesis20060401

Title: COX-2 up-regulation and vascular smooth muscle contractile hyperreactivity in spontaneous diabetic db/db mice.

Journal: Cardiovascular research20050901

Title: Cyclooxygenase-2 expression is induced in rat brain after kainate-induced seizures and promotes neuronal death in CA3 hippocampus.

Journal: Brain research20050719

Title: The dual role of prostaglandin E(2) in excitotoxicity and preconditioning-induced neuroprotection.

Journal: European journal of pharmacology20050704

Title: The anti-invasive activity of cyclooxygenase inhibitors is regulated by the transcription factor ATF3 (activating transcription factor 3).

Journal: Molecular cancer therapeutics20050501

Title: Translational studies on aromatase, cyclooxygenases, and enzyme inhibitors in breast cancer.

Journal: The Journal of steroid biochemistry and molecular biology20050501

Title: The cyclooxygenase inhibitor indomethacin modulates gene expression and represses the extracellular matrix protein laminin gamma1 in human glioblastoma cells.

Journal: Experimental cell research20050115

Title: Inhibitory effects of Celecoxib and Sc-58125 on proliferation of human carcinoma of larynx Hep-2 in vitro.

Journal: Journal of Huazhong University of Science and Technology. Medical sciences = Hua zhong ke ji da xue xue bao. Yi xue Ying De wen ban = Huazhong keji daxue xuebao. Yixue Yingdewen ban20050101

Title: Cyclooxygenase-2 activity contributes to neuronal expression of cyclin D1 after anoxia/ischemia in vitro and in vivo.

Journal: Brain research. Molecular brain research20041206

Title: Cyclooxygenase-2-derived endogenous prostacyclin enhances mouse embryo hatching.

Journal: Human reproduction (Oxford, England)20041201

Title: Death receptor regulation and celecoxib-induced apoptosis in human lung cancer cells.

Journal: Journal of the National Cancer Institute20041201

Title: Decreased susceptibility to renovascular hypertension in mice lacking the prostaglandin I2 receptor IP.

Journal: The Journal of clinical investigation20040915

Title: COX-2 Regulates the insulin-like growth factor I-induced potentiation of Zn(2+)-toxicity in primary cortical culture.

Journal: Molecular pharmacology20040901

Title: Inhibition of cyclooxygenase-1 and -2 expression by targeting the endothelin a receptor in human ovarian carcinoma cells.

Journal: Clinical cancer research : an official journal of the American Association for Cancer Research20040715

Title: Opposing effects of cyclooxygenase-2 selective inhibitors on oxygen-glucose deprivation-induced neurotoxicity.

Journal: European journal of pharmacology20040616

Title: Gene modulation by Cox-1 and Cox-2 specific inhibitors in human colorectal carcinoma cancer cells.

Journal: Carcinogenesis20040301

Title: COX-2 inhibition results in alterations in nuclear factor (NF)-kappaB activation but not cytokine production in acute pancreatitis.

Journal: Journal of gastrointestinal surgery : official journal of the Society for Surgery of the Alimentary Tract20040101

Title: Intestinal transformation results in transforming growth factor-beta-dependent alteration in tumor cell-cell matrix interactions.

Journal: Surgery20030501

Title: NS-398: cyclooxygenase-2 independent inhibition of leukocyte priming for lipid body formation and enhanced leukotriene generation.

Journal: Prostaglandins, leukotrienes, and essential fatty acids20021001

Title: Up-regulation of prostaglandin E2 synthesis by interleukin-1beta in human orbital fibroblasts involves coordinate induction of prostaglandin-endoperoxide H synthase-2 and glutathione-dependent prostaglandin E2 synthase expression.

Journal: The Journal of biological chemistry20020510

Title: Radiosynthesis, in vitro validation, and in vivo evaluation of 18F-labeled COX-1 and COX-2 inhibitors.

Journal: Journal of nuclear medicine : official publication, Society of Nuclear Medicine20020101

Title: Molecular modelling of the differential interaction between several non-steroidal anti-inflammatory drugs and human prostaglandin endoperoxide H synthase-2 (h-PGHS-2).

Journal: Journal of molecular graphics & modelling20020101

Title: Three-dimensional quantitative structure-activity relationships of cyclo-oxygenase-2 (COX-2) inhibitors: a comparative molecular field analysis.

Journal: Journal of medicinal chemistry20010927

Title: A cyclooxygenase-2 inhibitor (SC-58125) blocks growth of established human colon cancer xenografts.

Journal: Neoplasia (New York, N.Y.)20010901

Title: The acute antihyperalgesic action of nonsteroidal, anti-inflammatory drugs and release of spinal prostaglandin E2 is mediated by the inhibition of constitutive spinal cyclooxygenase-2 (COX-2) but not COX-1.

Journal: The Journal of neuroscience : the official journal of the Society for Neuroscience20010815

Title: Key role for constitutive cyclooxygenase-2 of MDCK cells in basal signaling and response to released ATP.

Journal: American journal of physiology. Cell physiology20010801

Title: Heme oxygenase-1 induction by nitric oxide in RAW 264.7 macrophages is upregulated by a cyclo-oxygenase-2 inhibitor.

Journal: Biochimica et biophysica acta20010403

Title: Aspirin, but not the more selective cyclooxygenase (COX)-2 inhibitors meloxicam and SC 58125, aggravates postischaemic cardiac dysfunction, independent of COX function.

Journal: Naunyn-Schmiedeberg's archives of pharmacology20010201

Title: Par-4, a proapoptotic gene, is regulated by NSAIDs in human colon carcinoma cells.

Journal: Gastroenterology20000601

Title: Modulation of apoptosis and Bcl-2 expression by prostaglandin E2 in human colon cancer cells.

Journal: Cancer research19980115

Title: Biochemical and pharmacological profile of a tetrasubstituted furanone as a highly selective COX-2 inhibitor.

Journal: British journal of pharmacology19970501

Title: Effect of structural modification of enol-carboxamide-type nonsteroidal antiinflammatory drugs on COX-2/COX-1 selectivity.

Journal: Journal of medicinal chemistry19970314

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