CAS Number22494-42-4
SynonymsDolobil; Difludol; Dolisal; 2',4'-Difluoro-4-hydroxy-3-biphenylcarboxylic acid; Flustar; 4',6'-difluoro-4-hydroxybiphenyl-3-carboxylic acid; Dolobis; Diflunisal; EINECS 245-034-9; Fluodonil; Adomal; MFCD00057834; 5-(2,4-difluorophenyl)-2-hydroxybenzoic acid; 2-hydroxy-5-(2',4'-difluorophenyl)benzoic acid; Diflunisalum; Fluniget; Dolobid; Flovacil; 2',4'-difluoro-4-hydroxy-[1,1'-biphenyl]-3-carboxylic acid; 2',4'-Difluoro-4-hydroxybiphenyl-3-carboxylic acid; 5-(2,4-Difluorophenyl)salicylic acid
Molecular FormulaC13H8F2O3
Molecular Weight250.20
Purity98%
Density1.4±0.1 g/cm3
Boiling Point386.9±42.0 °C at 760 mmHg
Melting Point32-36 °C
Appearancewhite solid
EINECS245-034-9
Symbol
Signal WordWarning
| Chemical & Physical Properties | |
|---|---|
| CAS Number | 22494-42-4 |
| Catalog No. | 2A-9010141 |
| Chinese Name | 二氟尼柳 |
| Synonyms | Dolobil; Difludol; Dolisal; 2',4'-Difluoro-4-hydroxy-3-biphenylcarboxylic acid; Flustar; 4',6'-difluoro-4-hydroxybiphenyl-3-carboxylic acid; Dolobis; Diflunisal; EINECS 245-034-9; Fluodonil; Adomal; MFCD00057834; 5-(2,4-difluorophenyl)-2-hydroxybenzoic acid; 2-hydroxy-5-(2',4'-difluorophenyl)benzoic acid; Diflunisalum; Fluniget; Dolobid; Flovacil; 2',4'-difluoro-4-hydroxy-[1,1'-biphenyl]-3-carboxylic acid; 2',4'-Difluoro-4-hydroxybiphenyl-3-carboxylic acid; 5-(2,4-Difluorophenyl)salicylic acid |
| Molecular Formula | C13H8F2O3 |
| Molecular Weight | 250.20 |
| Purity | 98 |
| Density | 1.4±0.1 g/cm3 |
| Boiling Point | 386.9±42.0 °C at 760 mmHg |
| Melting Point | 32-36 °C |
| Appearance | white solid |
| Storage Condition | Refrigerator |
| Application | Diflunisal (MK-647) is a salicylate derivative with non-steroidal anti-inflammatory and uric acid soothing properties and can be used alone as an analgesic and in patients with rheumatoid arthritis. D |
| EINECS | 245-034-9 |
| HTC | 2918290000 |
| PubChem ID | 329798693 |
| MDL Number | MFCD00057834 |
| SMILES | FC1=CC(F)=CC=C1C2=CC(C(O)=O)=C(O)C=C2 |
| InChI | 1S/C13H8F2O3/c14-8-2-3-9(11(15)6-8)7-1-4-12(16)10(5-7)13(17)18/h1-6,16H,(H,17,18) |
| InChI Key | HUPFGZXOMWLGNK-UHFFFAOYSA-N |
| NACRES Code | NA.24 |
| UNSPSC | 41116107 |
| Hazard Symbols | Transport |
| MSDS | msds/10141_1_22494_42_4.pdf |
| Bioactivity | Diflunisal (MK-647) is a salicylate derivative with nonsteroidal anti-inflammatory and uricosuric properties, which is used alone as an analgesic and in rheumatoid arthritis patients. The mechanism of action of diflunisal is as a Cyclooxygenase (COX) Inhibitor. Related Catalog Research Areas >> Inflammation/Immunology Target COX In Vivo Administration of increasing doses of Diflunisal to rats shows that the effect of the dose on the pharmacokinetics of Diflunisal is quite complicated. The plasma concentrations of Diflunisal decline exponentially with time, albeit with a half-life that increases with increasing dose. The CLP is reduced considerably when the dose increases from 3 to 10 mg/kg and then remains relatively constant over the dose range of 10 to 60 mg/kg. Diflunisal has been shown to be highly bound to rat plasma protein and dependent on concentration. The fraction of unbound Diflunisal is increased about 10-fold over the concentration range of 5 to 300 μg/mL[1]. Diflunisal exhibits activity after oral administration with potency about 25 times greater than that of aspirin, about 3 times that of glafenine and twice that of zomepirac[2]. Animal Admin Rats[1] For the study of dose dependency, Diflunisal is administered by i.a. injection in doses of 3, 10, 30 and 60 mg/kg (1.5, 5, 15 and 30 mg/mL dosing solution in 0.1 M NaHCO3). The infusion studies consist of a bolus injection of Diflunisal followed immediately by a 7-hr infusion at a constant rate. Seven groups of rats are included in the infusion studies. The loading doses used are 2, 3, 5, 10, 25, 50 and 80 mg/kg and their corresponding infusion rates are 3, 4.5, 9, 18, 36, 72 and 144 μg/min (0.576 mL/hr of seven different dosing solutions: 0.31, 0.47, 0.94, 1.88, 3.75, 7.5 and 15 mg/mL in 0.1 M NaHCO3). Blood samples are collected serially at appropriate times for the dose-dependency studies, but collected hourly for the infusion studies. Plasma is obtained immediately by centrifugation of blood samples and extracted with acetonitrile and then frozen (-20°C) until assay[1]. References [1]. Lin JH, et al. Dose-dependent pharmacokinetics of diflunisal in rats: dual effects of protein binding and metabolism. J Pharmacol Exp Ther. 1985 Nov;235(2):402-6. [2]. Winter CA, et al. Analgesic activity of diflunisal [MK-647; 5-(2,4-difluorophenyl)salicylic acid] in rats with hyperalgesia induced by Freund's adjuvant. J Pharmacol Exp Ther. 1979 Dec;211(3):678-85. [3]. Cappon GD, et al. Relationship between cyclooxygenase 1 and 2 selective inhibitors and fetal development when administered to rats and rabbits during the sensitive periods for heart development and midline closure. Birth Defects Res B Dev Reprod Toxicol. 2003 Feb;68(1):47-56. Chemical & Physical Properties Density 1.4±0.1 g/cm3 Boiling Point 386.9±42.0 °C at 760 mmHg Melting Point 32-36 °C Molecular Formula C13H8F2O3 Molecular Weight 250.198 Flash Point 187.8±27.9 °C Exact Mass 250.044144 PSA 57.53000 LogP 4.44 Vapour Pressure 0.0±0.9 mmHg at 25°C Index of Refraction 1.601 InChIKey HUPFGZXOMWLGNK-UHFFFAOYSA-N SMILES O=C(O)c1cc(-c2ccc(F)cc2F)ccc1O Storage condition Refrigerator |
| Use of | Diflunisal (MK-647) is a salicylate derivative with nonsteroidal anti-inflammatory and uricosuric properties, which is used alone as an analgesic and in rheumatoid arthritis patients. The mechanism of action of diflunisal is as a Cyclooxygenase (COX) Inhibitor. Properties Articles34 Name diflunisal Synonym More Synonyms Diflunisal Biological Activity Description Diflunisal (MK-647) is a salicylate derivative with nonsteroidal anti-inflammatory and uricosuric properties, which is used alone as an analgesic and in rheumatoid arthritis patients. The mechanism of action of diflunisal is as a Cyclooxygenase (COX) Inhibitor. Related Catalog Research Areas >> Inflammation/Immunology References [1]. Lin JH, et al. Dose-dependent pharmacokinetics of diflunisal in rats: dual effects of protein binding and metabolism. J Pharmacol Exp Ther. 1985 Nov;235(2):402-6. [2]. Winter CA, et al. Analgesic activity of diflunisal [MK-647; 5-(2,4-difluorophenyl)salicylic acid] in rats with hyperalgesia induced by Freund's adjuvant. J Pharmacol Exp Ther. 1979 Dec;211(3):678-85. [3]. Cappon GD, et al. Relationship between cyclooxygenase 1 and 2 selective inhibitors and fetal development when administered to rats and rabbits during the sensitive periods for heart development and midline closure. Birth Defects Res B Dev Reprod Toxicol. 2003 Feb;68(1):47-56. Chemical & Physical Properties Molecular Formula C13H8F2O3 Exact Mass 250.044144 PSA 57.53000 Index of Refraction 1.601 InChIKey HUPFGZXOMWLGNK-UHFFFAOYSA-N Storage condition Refrigerator |
| Tax Rebate | 13.0% |
| Supervision | None. MFN tariff: 6.5%. Ordinary tariff: 30.0% |
| Transport Info | Product name: Purity: 98.0% |
| MSDS Transport Info | Module 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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