ketoprofen

Modify Date: 2024-01-02 18:18:24

ketoprofen structure	Common Name	ketoprofen
	CAS Number	22071-15-4	Molecular Weight	254.281
	Density	1.2±0.1 g/cm3	Boiling Point	431.3±28.0 °C at 760 mmHg
	Molecular Formula	C₁₆H₁₄O₃	Melting Point	93-96°C
	MSDS	Chinese USA	Flash Point	228.8±20.5 °C
	Symbol	GHS06	Signal Word	Danger

Use of ketoprofen

Ketoprofen is a non-steroidal antiinflammatory agent, acting as a potent inhibitor of COX, with IC50s of 2 nM and 26 nM for COX-1 and COX-2 in human blood monocytes, respectively.

Name	ketoprofen
Synonym	More Synonyms

Description	Ketoprofen is a non-steroidal antiinflammatory agent, acting as a potent inhibitor of COX, with IC50s of 2 nM and 26 nM for COX-1 and COX-2 in human blood monocytes, respectively.
Related Catalog	Research Areas >> Inflammation/Immunology
Target	COX-1:2 nM (IC50, in human blood monocytes) COX-2:26 nM (IC50, in human blood monocytes)
In Vitro	Ketoprofen (Compound 2) is a non-steroidal antiinflammatory agent, acting as a potent inhibitor of COX, with IC50s of 2 nM and 26 nM for COX-1 and COX-2 in human blood monocytes, respectively[1].
In Vivo	Ketoprofen (0.32-10 mg/kg, s.c) dose-dependently inhibits acid-induced depression of nesting (IC50, 2.05 mg/kg), and reverses CFA-induced such depression at 0.1-10 mg/kg, with an IC50 of 0.18 mg/kg in mice[2].
Animal Admin	First, Ketoprofen (0.1-1.0 mg/kg) and morphine (0.1-1.0 mg/kg) are evaluated for their effectiveness to block U69,593-induced depression of nesting. For these studies, Ketoprofen or morphine is administered 30 min before nesting, 1.0 mg/kg U69,593 is administered 15 min before nesting, and each set of conditions is tested in a group of six mice[2].
References	[1]. Palomer A, et al. Structure-based design of cyclooxygenase-2 selectivity into ketoprofen. Bioorg Med Chem Lett. 2002 Feb 25;12(4):533-7. [2]. Negus SS, et al. Effects of ketoprofen, morphine, and kappa opioids on pain-related depression of nesting in mice. Pain. 2015 Jun;156(6):1153-60.

Density	1.2±0.1 g/cm3
Boiling Point	431.3±28.0 °C at 760 mmHg
Melting Point	93-96°C
Molecular Formula	C₁₆H₁₄O₃
Molecular Weight	254.281
Flash Point	228.8±20.5 °C
Exact Mass	254.094299
PSA	54.37000
LogP	2.81
Vapour Pressure	0.0±1.1 mmHg at 25°C
Index of Refraction	1.592

ketoprofen MSDS(Chinese)

CHEMICAL IDENTIFICATION

RTECS NUMBER :: UE7570000

CHEMICAL NAME :: Propionic acid, 2-(3-benzoylphenyl)-

CAS REGISTRY NUMBER :: 22071-15-4

LAST UPDATED :: 199801

DATA ITEMS CITED :: 23

MOLECULAR FORMULA :: C16-H14-O3

MOLECULAR WEIGHT :: 254.30

WISWESSER LINE NOTATION :: QVY1&R CVR

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :: TDLo - Lowest published toxic dose

ROUTE OF EXPOSURE :: Oral

SPECIES OBSERVED :: Human - man

DOSE/DURATION :: 5714 ug/kg

TOXIC EFFECTS :: Liver - hepatitis (hepatocellular necrosis), zonal Liver - jaundice (or hyperbilirubinemia) hepatocellular Nutritional and Gross Metabolic - body temperature increase

TYPE OF TEST :: TDLo - Lowest published toxic dose

ROUTE OF EXPOSURE :: Oral

SPECIES OBSERVED :: Human

DOSE/DURATION :: 714 ug/kg

TOXIC EFFECTS :: Gastrointestinal - nausea or vomiting

TYPE OF TEST :: TDLo - Lowest published toxic dose

ROUTE OF EXPOSURE :: Oral

SPECIES OBSERVED :: Human - woman

DOSE/DURATION :: 80 mg/kg/10D-I

TOXIC EFFECTS :: Kidney, Ureter, Bladder - changes in tubules (including acute renal failure, acute tubular necrosis)

TYPE OF TEST :: TDLo - Lowest published toxic dose

ROUTE OF EXPOSURE :: Unreported

SPECIES OBSERVED :: Human - child

DOSE/DURATION :: 300 mg/kg/15D-I

TOXIC EFFECTS :: Brain and Coverings - other degenerative changes Behavioral - headache Gastrointestinal - nausea or vomiting

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

ROUTE OF EXPOSURE :: Oral

SPECIES OBSERVED :: Rodent - rat

DOSE/DURATION :: 62400 ug/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 :: 80 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 :: 100 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 :: Intravenous

SPECIES OBSERVED :: Rodent - rat

DOSE/DURATION :: 350 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 :: Rectal

SPECIES OBSERVED :: Rodent - rat

DOSE/DURATION :: 84 mg/kg

TOXIC EFFECTS :: Gastrointestinal - ulceration or bleeding from small intestine Gastrointestinal - peritonitis

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

ROUTE OF EXPOSURE :: Oral

SPECIES OBSERVED :: Rodent - mouse

DOSE/DURATION :: 360 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 - mouse

DOSE/DURATION :: 300 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 :: 550 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 :: Intravenous

SPECIES OBSERVED :: Rodent - mouse

DOSE/DURATION :: 500 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 - guinea pig

DOSE/DURATION :: 1300 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 :: Intravenous

SPECIES OBSERVED :: Rodent - guinea pig

DOSE/DURATION :: 450 mg/kg

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

TYPE OF TEST :: TDLo - Lowest published toxic dose

ROUTE OF EXPOSURE :: Oral

SPECIES OBSERVED :: Rodent - rat

DOSE/DURATION :: 300 mg/kg/30D-C

TOXIC EFFECTS :: Endocrine - changes in spleen weight Blood - other changes Related to Chronic Data - changes in testicular weight

TYPE OF TEST :: TDLo - Lowest published toxic dose

ROUTE OF EXPOSURE :: Oral

SPECIES OBSERVED :: Rodent - rat

DOSE/DURATION :: 1080 mg/kg/26W-I

TOXIC EFFECTS :: Lungs, Thorax, or Respiration - other changes Gastrointestinal - other changes Related to Chronic Data - death

TYPE OF TEST :: TDLo - Lowest published toxic dose

ROUTE OF EXPOSURE :: Rectal

SPECIES OBSERVED :: Rodent - rat

DOSE/DURATION :: 300 mg/kg/30D-C

TOXIC EFFECTS :: Blood - pigmented or nucleated red blood cells Nutritional and Gross Metabolic - weight loss or decreased weight gain Related to Chronic Data - death

TYPE OF TEST :: TDLo - Lowest published toxic dose

ROUTE OF EXPOSURE :: Oral

SPECIES OBSERVED :: Rodent - mouse

DOSE/DURATION :: 900 mg/kg/5D-I

TOXIC EFFECTS :: Related to Chronic Data - death

TYPE OF TEST :: TDLo - Lowest published toxic dose

ROUTE OF EXPOSURE :: Oral

SPECIES OBSERVED :: Mammal - dog

DOSE/DURATION :: 1092 mg/kg/13W-I

TOXIC EFFECTS :: Gastrointestinal - ulceration or bleeding from duodenum Nutritional and Gross Metabolic - weight loss or decreased weight gain Related to Chronic Data - death

TYPE OF TEST :: TDLo - Lowest published toxic dose

ROUTE OF EXPOSURE :: Oral

DOSE :: 1 mg/kg

SEX/DURATION :: female 21 day(s) after conception

TOXIC EFFECTS :: Reproductive - Specific Developmental Abnormalities - cardiovascular (circulatory) system

MUTATION DATA

TEST SYSTEM :: Rodent - mouse

DOSE/DURATION :: 50 mg/kg

REFERENCE :: MUREAV Mutation Research. (Elsevier Science Pub. B.V., POB 211, 1000 AE Amsterdam, Netherlands) V.1- 1964- Volume(issue)/page/year: 393,123,1997

Symbol	GHS06
Signal Word	Danger
Hazard Statements	H301-H315-H319-H335
Precautionary Statements	P261-P301 + P310-P305 + P351 + P338
Personal Protective Equipment	Eyeshields;Faceshields;Gloves;type P2 (EN 143) respirator cartridges
Hazard Codes	T: Toxic;
Risk Phrases	R25;R36/37/38
Safety Phrases	S26-S45-S36/37/39
RIDADR	2811
RTECS	UE7570000
Packaging Group	III
Hazard Class	6.1(b)
HS Code	2916392000

Precursor 8
CAS#:216019-59-9 neomenthyldiphe... CAS#:63444-57-5 (3-ethenylpheny... CAS#:7664-93-9 Sulfuric acid CAS#:96-22-0 3-Pentanone
CAS#:201230-82-2 carbon monoxide CAS#:69355-34-6 3-ethynylbenzop... CAS#:80078-36-0 dimethyl 2-meth... CAS#:42872-30-0 UNII:T1XT2245YV
DownStream 9
CAS#:59960-32-6 Dihydro Ketopro... CAS#:586-42-5 3-Acetylbenzoic acid CAS#:579-18-0 3-BENZOYLBENZOI... CAS#:56105-81-8 (2R)-2-(3-Benzo...
CAS#:22161-81-5 S-(+)-Ketoprofen CAS#:66067-44-5 3-Acetylbenzophenone CAS#:67173-18-6 3-(1-Hydroxyeth... CAS#:126489-64-3 [3-(1-chloroeth...
CAS#:66067-43-4 3-Ehylbenzophenone

HS Code	2918300090
Summary	2918300090 other carboxylic acids with aldehyde or ketone function but without other oxygen function, their anhydrides, halides, peroxides, peroxyacids and their derivatives。Supervision conditions:None。VAT:17.0%。Tax rebate rate:9.0%。MFN tariff:6.5%。General tariff:30.0%

Cheminformatics analysis of assertions mined from literature that describe drug-induced liver injury in different species.

Chem. Res. Toxicol. 23 , 171-83, (2010)

Drug-induced liver injury is one of the main causes of drug attrition. The ability to predict the liver effects of drug candidates from their chemical structures is critical to help guide experimental...

Translating clinical findings into knowledge in drug safety evaluation--drug induced liver injury prediction system (DILIps).

J. Sci. Ind. Res. 65(10) , 808, (2006)

Drug-induced liver injury (DILI) is a significant concern in drug development due to the poor concordance between preclinical and clinical findings of liver toxicity. We hypothesized that the DILI typ...

Convenient QSAR model for predicting the complexation of structurally diverse compounds with β-cyclodextrins

Bioorg. Med. Chem. 17 , 896-904, (2009)

This paper reports a QSAR study for predicting the complexation of a large and heterogeneous variety of substances (233 organic compounds) with beta-cyclodextrins (beta-CDs). Several different theoret...

2-(3-benzoyl-phenyl)propionic acid

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aneol

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ketoprofen

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