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Triflusal structure, CAS 322-79-2

Triflusal

CAS Number322-79-2

SynonymsTriflusal; 2-(acetyloxy)-4-(trifluoromethyl)benzoic acid; α,α,α-Trifluoro-2,4-cresotic Acid Acetate; 2-Acetoxy-4-trifluoromethylbenzoic acid; EINECS 206-297-5; Triflusalum [INN-Latin]; 2-Acetoxy-4-trifluoromethylbenzoicacid; Triflusal [INN]; 2-Acetoxy-4-trifluormethyl-benzoesaeure; 2-Acetoxy-4-(trifluoromethyl)benzoic acid; 2-Acetyloxy-4-trifluoromethylbenzoic acid; UR 1501; MFCD00866793; Disgren; Triflux

Molecular FormulaC10H7F3O4

Molecular Weight248.16

Purity98%

Density1.4±0.1 g/cm3

Boiling Point316.0±42.0 °C at 760 mmHg

Melting Point115 °C

Flash Point

AppearanceSolid;White to Almost white powder to crystal

EINECS

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Cat. No.: 2A-9012832 Purity: 98%
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Quality Control of [ 322-79-2 ] Purity: 98% SDS Specification MoL

COA NMR CNMR HPLC LC-MS
Chemical & Physical Properties
CAS Number322-79-2
Catalog No.2A-9012832
Chinese Name三氟醋柳酸
SynonymsTriflusal; 2-(acetyloxy)-4-(trifluoromethyl)benzoic acid; α,α,α-Trifluoro-2,4-cresotic Acid Acetate; 2-Acetoxy-4-trifluoromethylbenzoic acid; EINECS 206-297-5; Triflusalum [INN-Latin]; 2-Acetoxy-4-trifluoromethylbenzoicacid; Triflusal [INN]; 2-Acetoxy-4-trifluormethyl-benzoesaeure; 2-Acetoxy-4-(trifluoromethyl)benzoic acid; 2-Acetyloxy-4-trifluoromethylbenzoic acid; UR 1501; MFCD00866793; Disgren; Triflux
Molecular FormulaC10H7F3O4
Molecular Weight248.16
Purity98
Density1.4±0.1 g/cm3
Boiling Point316.0±42.0 °C at 760 mmHg
Melting Point115 °C
AppearanceSolid;White to Almost white powder to crystal
Water SolubilityWater solubility: insoluble
Storage Condition2-8°C
ApplicationTriflusal can irreversibly inhibit the production of thromboxane B2 in platelets by acetylating COX-1.
HTC2918990090
SMILESFC(F)(F)c1cc(c(cc1)C(=O)O)OC(=O)C
InChI1S/C10H7F3O4/c1-5(14)17-8-4-6(10(11,12)13)2-3-7(8)9(15)16/h2-4H,1H3,(H,15,16)
InChI KeyRMWVZGDJPAKBDE-UHFFFAOYSA-N
NACRES CodeNA.24
UNSPSC41116107
Hazard SymbolsTransport
MSDSmsds/12832_1_322_79_2.pdf
BioactivityTriflusal irreversibly inhibits the production of thromboxane-B2 in platelets by acetylating cycloxygenase-1.Target: COXTriflusal at 10 mM, 100 mM and 1 M decreases LDH efflux in rat brain slices after anoxia/reoxygenation by 24%, 35% and 49% respectively. Triflusal also reduces inducible NO synthase activity by 18%, 21% and 30% [1].Triflusal (10 mg/kg i.v.) reduces platelet deposition on subendothelium-induced primary thrombus by about 68% in rabbits. Triflusal (10 mg/kg i.v.) reduces platelet deposition on a fresh thrombus formed over tunica media by about 48% in rabbits. Triflusal (40 mg/kg p.o.) reduces platelet deposition on a primary thrombus triggered by subendothelium and tunica media by 53% in rabbits. Triflusal (40 mg/kg p.o.) significantly reduces Cox-2 mRNA levels and protein levels without influence Cox-1 mRNA levels on the vascular wall in rabbits [2]. Triflusal (600 mg/day for 5 days) results in an increase in NO production by neutrophils and an increase in endothelial nitric oxide synthase (eNOS) protein expression in neutrophils in healthy volunteers [3]. Related Catalog Research Areas >> Inflammation/Immunology Target COX-2:280 μM (IC50) COX-2:160 μM (IC50, in human blood) References [1]. Fernández de Arriba A, et al. Inhibition of cyclooxygenase-2 expression by 4-trifluoromethyl derivatives of salicylate, triflusal, and its deacetylated metabolite, 2-hydroxy-4-trifluoromethylbenzoic acid. Mol Pharmacol. 1999 Apr;55(4):753-60. [2]. Duran, X., et al., Protective effects of triflusal on secondary thrombus growth and vascular cyclooxygenase-2. J Thromb Haemost, 2008. 6(8): p. 1385-92. [3]. De Miguel, L.S., et al., A 4-trifluoromethyl derivative of salicylate, triflusal, stimulates nitric oxide production by human neutrophils: role in platelet function. Eur J Clin Invest, 2000. 30(9): p. 811-7. Chemical & Physical Properties Density 1.4±0.1 g/cm3 Boiling Point 316.0±42.0 °C at 760 mmHg Melting Point 115 °C Molecular Formula C10H7F3O4 Molecular Weight 248.155 Flash Point 144.9±27.9 °C Exact Mass 248.029648 PSA 63.60000 LogP 2.90 Vapour Pressure 0.0±0.7 mmHg at 25°C Index of Refraction 1.484 InChIKey RMWVZGDJPAKBDE-UHFFFAOYSA-N SMILES CC(=O)Oc1cc(C(F)(F)F)ccc1C(=O)O Storage condition 2-8°C
Use ofProperties Articles28 Name 2-acetyloxy-4-(trifluoromethyl)benzoic acid Synonym More Synonyms Triflusal Biological Activity Related Catalog Research Areas >> Inflammation/Immunology COX-2:280 μM (IC50) COX-2:160 μM (IC50, in human blood) References [1]. Fernández de Arriba A, et al. Inhibition of cyclooxygenase-2 expression by 4-trifluoromethyl derivatives of salicylate, triflusal, and its deacetylated metabolite, 2-hydroxy-4-trifluoromethylbenzoic acid. Mol Pharmacol. 1999 Apr;55(4):753-60. [2]. Duran, X., et al., Protective effects of triflusal on secondary thrombus growth and vascular cyclooxygenase-2. J Thromb Haemost, 2008. 6(8): p. 1385-92. [3]. De Miguel, L.S., et al., A 4-trifluoromethyl derivative of salicylate, triflusal, stimulates nitric oxide production by human neutrophils: role in platelet function. Eur J Clin Invest, 2000. 30(9): p. 811-7. Chemical & Physical Properties Molecular Formula C10H7F3O4 Exact Mass 248.029648 PSA 63.60000 Index of Refraction 1.484 InChIKey RMWVZGDJPAKBDE-UHFFFAOYSA-N
Tax Rebate13.0%
SupervisionNone. MFN tariff: 6.5%. Ordinary tariff: 30.0%
Transport InfoProduct name: Purity: 99.0%
MSDS Transport InfoModule 14. Shipping information 14.1 UN dangerous goods number European Land Transport Dangerous Regulations: -International Maritime Dangerous Regulations: -International Air Transport Dangerous Regulations: - 14.2 Names specified by the United Nations (UN) European Land Transport Dangerous Regulations: Non-dangerous goods IMDG Code: Non-dangerous goods International air transport dangerous goods regulations: non-dangerous goods 14.3 Transport hazard categories European Land Transport Dangerous Regulations: -International Maritime Dangerous Regulations: -International Air Transport Dangerous Regulations: - 14.4 Package group European Land Transport Dangerous Regulations: -International Maritime Dangerous Regulations: -International Air Transport Dangerous Regulations: - 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 reminder to users No data available
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