Diflunisal

Modify Date: 2024-01-02 19:31:05

Diflunisal structure	Common Name	Diflunisal
	CAS Number	22494-42-4	Molecular Weight	250.198
	Density	1.4±0.1 g/cm3	Boiling Point	386.9±42.0 °C at 760 mmHg
	Molecular Formula	C₁₃H₈F₂O₃	Melting Point	32-36 °C
	MSDS	Chinese USA	Flash Point	187.8±27.9 °C
	Symbol	GHS07, GHS08	Signal Word	Warning

Use of Diflunisal

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.

Name	diflunisal
Synonym	More Synonyms

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
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.

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
Storage condition	Refrigerator

Diflunisal MSDS(Chinese)

CHEMICAL IDENTIFICATION

RTECS NUMBER :: DV2030000

CHEMICAL NAME :: 3-Biphenylcarboxylic acid, 2',4'-difluoro-4-hydroxy-

CAS REGISTRY NUMBER :: 22494-42-4

LAST UPDATED :: 199806

DATA ITEMS CITED :: 18

MOLECULAR FORMULA :: C13-H8-F2-O3

MOLECULAR WEIGHT :: 250.21

WISWESSER LINE NOTATION :: QVR BQ ER BF DF

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :: TDLo - Lowest published toxic dose

ROUTE OF EXPOSURE :: Oral

SPECIES OBSERVED :: Human

DOSE/DURATION :: 71 mg/kg/5D-I

TOXIC EFFECTS :: Behavioral - tolerance Liver - jaundice, cholestatic

TYPE OF TEST :: TDLo - Lowest published toxic dose

ROUTE OF EXPOSURE :: Oral

SPECIES OBSERVED :: Human - man

DOSE/DURATION :: 429 mg/kg/17W-I

TOXIC EFFECTS :: Blood - agranulocytosis Nutritional and Gross Metabolic - body temperature increase

TYPE OF TEST :: LD50 - Lethal dose, 50 percent kill

ROUTE OF EXPOSURE :: Oral

SPECIES OBSERVED :: Rodent - rat

DOSE/DURATION :: 392 mg/kg

TOXIC EFFECTS :: Details of toxic effects not reported other than lethal dose value

TYPE OF TEST :: LD50 - Lethal dose, 50 percent kill

ROUTE OF EXPOSURE :: Intraperitoneal

SPECIES OBSERVED :: Rodent - rat

DOSE/DURATION :: 159 mg/kg

TOXIC EFFECTS :: Details of toxic effects not reported other than lethal dose value

TYPE OF TEST :: LD50 - Lethal dose, 50 percent kill

ROUTE OF EXPOSURE :: Subcutaneous

SPECIES OBSERVED :: Rodent - rat

DOSE/DURATION :: 185 mg/kg

TOXIC EFFECTS :: Details of toxic effects not reported other than lethal dose value

TYPE OF TEST :: LD50 - Lethal dose, 50 percent kill

ROUTE OF EXPOSURE :: Oral

SPECIES OBSERVED :: Rodent - mouse

DOSE/DURATION :: 439 mg/kg

TOXIC EFFECTS :: Behavioral - tremor Behavioral - ataxia Lungs, Thorax, or Respiration - respiratory depression

TYPE OF TEST :: LD50 - Lethal dose, 50 percent kill

ROUTE OF EXPOSURE :: Intraperitoneal

SPECIES OBSERVED :: Rodent - mouse

DOSE/DURATION :: 124 mg/kg

TOXIC EFFECTS :: Details of toxic effects not reported other than lethal dose value

TYPE OF TEST :: LD50 - Lethal dose, 50 percent kill

ROUTE OF EXPOSURE :: Subcutaneous

SPECIES OBSERVED :: Rodent - mouse

DOSE/DURATION :: 212 mg/kg

TOXIC EFFECTS :: Details of toxic effects not reported other than lethal dose value

TYPE OF TEST :: LD50 - Lethal dose, 50 percent kill

ROUTE OF EXPOSURE :: Oral

SPECIES OBSERVED :: Rodent - rabbit

DOSE/DURATION :: 603 mg/kg

TOXIC EFFECTS :: Behavioral - tremor Behavioral - ataxia Lungs, Thorax, or Respiration - respiratory depression

TYPE OF TEST :: TDLo - Lowest published toxic dose

ROUTE OF EXPOSURE :: Oral

SPECIES OBSERVED :: Rodent - rat

DOSE/DURATION :: 800 mg/kg/4D-I

TOXIC EFFECTS :: Gastrointestinal - ulceration or bleeding from stomach Related to Chronic Data - death

TYPE OF TEST :: TDLo - Lowest published toxic dose

ROUTE OF EXPOSURE :: Oral

SPECIES OBSERVED :: Rodent - rat

DOSE/DURATION :: 9400 mg/kg/14W-I

TOXIC EFFECTS :: Gastrointestinal - other changes Related to Chronic Data - death

TYPE OF TEST :: TDLo - Lowest published toxic dose

ROUTE OF EXPOSURE :: Oral

DOSE :: 520 mg/kg

SEX/DURATION :: female 6-18 day(s) after conception

TOXIC EFFECTS :: Reproductive - Effects on Embryo or Fetus - fetotoxicity (except death, e.g., stunted fetus) Reproductive - Specific Developmental Abnormalities - musculoskeletal system

TYPE OF TEST :: TDLo - Lowest published toxic dose

ROUTE OF EXPOSURE :: Oral

DOSE :: 780 mg/kg

SEX/DURATION :: female 6-18 day(s) after conception

TOXIC EFFECTS :: Reproductive - Fertility - post-implantation mortality (e.g. dead and/or resorbed implants per total number of implants)

TYPE OF TEST :: Cytogenetic analysis

TYPE OF TEST :: Cytogenetic analysis

TYPE OF TEST :: Sister chromatid exchange

MUTATION DATA

TEST SYSTEM :: Rodent - mouse

DOSE/DURATION :: 350 mg/kg

REFERENCE :: MUREAV Mutation Research. (Elsevier Science Pub. B.V., POB 211, 1000 AE Amsterdam, Netherlands) V.1- 1964- Volume(issue)/page/year: 370,1,1996 *** NIOSH STANDARDS DEVELOPMENT AND SURVEILLANCE DATA *** NIOSH OCCUPATIONAL EXPOSURE SURVEY DATA : NOES - National Occupational Exposure Survey (1983) NOES Hazard Code - X6814 No. of Facilities: 16 (estimated) No. of Industries: 1 No. of Occupations: 1 No. of Employees: 94 (estimated) No. of Female Employees: 62 (estimated)

Symbol	GHS07, GHS08
Signal Word	Warning
Hazard Statements	H302-H315-H319-H335-H361
Precautionary Statements	P280-P301 + P312 + P330-P305 + P351 + P338
Personal Protective Equipment	Eyeshields;Faceshields;full-face particle respirator type N100 (US);Gloves;respirator cartridge type N100 (US);type P1 (EN143) respirator filter;type P3 (EN 143) respirator cartridges
Hazard Codes	Xn:Harmful;
Risk Phrases	R22;R36/37/38;R63
Safety Phrases	S22-S26-S36
RIDADR	NONH for all modes of transport
WGK Germany	3
RTECS	DV2030000
HS Code	2918290000

5-Bromo-2-hydro...

CAS#:89-55-4

2,4-Difluorophe...

CAS#:144025-03-6

~93%

Diflunisal

CAS#:22494-42-4

Literature: DeVasher, Rebecca B.; Moore, Lucas R.; Shaughnessy, Kevin H. Journal of Organic Chemistry, 2004 , vol. 69, # 23 p. 7919 - 7927

2',4'-difluoro[...

CAS#:59089-67-7

Diflunisal

CAS#:22494-42-4

Literature: US4131618 A1, ;

methyl 5-(2,4-d...

CAS#:55544-00-8

~88%

Diflunisal

CAS#:22494-42-4

Literature: Kim, Seung-Hoi; Kim, Jong-Gyu Bulletin of the Korean Chemical Society, 2011 , vol. 32, # 1 p. 341 - 343

iodoanisole

CAS#:529-28-2

Diflunisal

CAS#:22494-42-4

Literature: Science (Washington, DC, United States), , vol. 337, # 6102 p. 1644 - 1648,5

(2,4-Difluoroph...

CAS#:148854-10-8

Diflunisal

CAS#:22494-42-4

Literature: Science (Washington, DC, United States), , vol. 337, # 6102 p. 1644 - 1648,5

Methyl 2-methox...

CAS#:606-45-1

(2,4-Difluoroph...

CAS#:148854-10-8

Diflunisal

CAS#:22494-42-4

Literature: Science (Washington, DC, United States), , vol. 337, # 6102 p. 1644 - 1648,5

Carbon dioxide

CAS#:124-38-9

2,4-Difluoroaniline

CAS#:367-25-9

Anisole

CAS#:100-66-3

Diflunisal

CAS#:22494-42-4

Literature: Journal of Medicinal Chemistry, , vol. 21, p. 1093 - 1100

Carbon dioxide

CAS#:124-38-9

2,4-Difluoroaniline

CAS#:367-25-9

benzene

CAS#:71-43-2

Diflunisal

CAS#:22494-42-4

Literature: Journal of Medicinal Chemistry, , vol. 21, p. 1093 - 1100

Precursor 10
CAS#:89-55-4 5-Bromo-2-hydro... CAS#:144025-03-6 2,4-Difluorophe... CAS#:59089-67-7 2',4'-difluoro[... CAS#:55544-00-8 methyl 5-(2,4-d...
CAS#:529-28-2 iodoanisole CAS#:148854-10-8 (2,4-Difluoroph... CAS#:606-45-1 Methyl 2-methox... CAS#:124-38-9 Carbon dioxide
CAS#:367-25-9 2,4-Difluoroaniline CAS#:100-66-3 Anisole
DownStream 7
CAS#:1058742-35-0 5-(2,4-difluoro... CAS#:1095208-64-2 [4-(2,4-difluor... CAS#:1095208-40-4 [2-(diethylcarb... CAS#:1095208-46-0 [4-(2,4-difluor...
CAS#:1186025-55-7 [4-(2,4-difluor... CAS#:22510-33-4 4'-FLUORO-4-HYD... CAS#:950984-92-6 [4-(2,4-difluor...

HS Code	2922299090
Summary	2922299090. other amino-naphthols and other amino-phenols, other than those containing more than one kind of oxygen function, their ethers and esters; salts thereof. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:30.0%

Synthesis and biological evaluation of amide derivatives of diflunisal as potential anti-tumor agents.

Bioorg. Med. Chem. Lett. 19(15) , 4399-402, (2009)

To discover the new medicinal activity, the structure of diflunisal has been modified. Forty amide derivatives of diflunisal were synthesized starting from diflunisal in three steps. Their inhibition ...

Evaluation of the drug-polymer interaction in calcium alginate beads containing diflunisal.

Pharmazie 65(2) , 106-9, (2010)

Calcium alginate gel beads have been developed in recent years as a unique vehicle for oral drug delivery due to their excellent biocompatibility, biodegradability, simple method of preparation, abund...

Simultaneous determination of ezetimibe and simvastatin in pharmaceutical preparations by MEKC.

J. Chromatogr. Sci. 48(2) , 95-9, (2010)

A micellar electrokinetic capillary chromatography method was developed and validated for the simultaneous determination of ezetimibe and simvastatin in pharmaceutical preparations. The influence of b...

Dolobil

Difludol

Dolisal

2',4'-Difluoro-4-hydroxy-3-biphenylcarboxylic acid

Flustar

4',6'-difluoro-4-hydroxybiphenyl-3-carboxylic acid

Dolobis

[1,1'-Biphenyl]-3-carboxylic acid, 2',4'-difluoro-4-hydroxy-

Diflunisal

EINECS 245-034-9

Fluodonil

Adomal

[14C]-Diflunisal

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

Shanghai Jizhi Biochemical Technology Co., Ltd
China
Product Name: Diflunisal
Price: ￥398.0/5g ￥118.0/1g
Purity: 98.0%
Stocking Period: 2 Day
Contact: Liu jia

DC Chemicals Limited
China
Product Name: Diflunisal
Price: $100.0/100mg $200.0/250mg $400.0/1g
Purity: 98.0%
Stocking Period: 3 Day
Contact: Tony Cao

Zhejiang Hangyu API Co., Ltd
China
Product Name: Diflunisal
Price: ￥Inquiry/1kg
Purity: 99.5%
Stocking Period: Inquiry
Contact: Vinnie

Get all suppliers and price by the below link:

Diflunisal suppliers

Price: $77/10mM*1mLinDMSO

Reference only. check more Diflunisal price

Diflunisal

Use of Diflunisal

Names

Diflunisal Biological Activity

Chemical & Physical Properties

MSDS

Toxicological Information

CHEMICAL IDENTIFICATION

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

MUTATION DATA

Safety Information

Synthetic Route

Precursor & DownStream

Customs

Articles34

Synonyms