CAS 22071-15-4|ketoprofen
Introduction：Basic information about CAS 22071-15-4|ketoprofen, including its chemical name, molecular formula, synonyms, physicochemical properties, and safety information, etc.
| 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 | ChineseUSA | Flash Point | 228.8±20.5 °C |
| Symbol | GHS06 | Signal Word | Danger |
Names
| Name | ketoprofen |
|---|---|
| Synonym | More Synonyms |
ketoprofen BiologicalActivity
| 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. |
Chemical & Physical Properties
| 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 |
| InChIKey | DKYWVDODHFEZIM-UHFFFAOYSA-N |
| SMILES | CC(C(=O)O)c1cccc(C(=O)c2ccccc2)c1 |
Toxicological Information
CHEMICAL IDENTIFICATION |
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
- 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
Safety Information
| 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 |
Customs
| 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% |
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Synonyms
| 2-(3-benzoyl-phenyl)propionic acid |
| Ketoprophene |
| Ketopron |
| UNII:90Y4QC304K |
| Epatec |
| Lertus |
| Ketoprofen |
| Dexal |
| Menamin |
| Meprofen |
| Fastum |
| MFCD00055790 |
| racemic-Ketoprofen |
| Orugesic |
| Iso-K |
| Oscorel |
| 2-(m-Benzoylphenyl)propionic acid |
| Oruvail |
| Toprec |
| Racemic Ketoprofen |
| Toprek |
| 2-(3-Benzoylphenyl)propanoic acid |
| Kefenid |
| Ketoflam |
| Orudis |
| Benzeneacetic acid, 3-benzoyl-α-methyl- |
| benzeneacetic acid, 3-benzoyl-a-methyl- |
| ru4733 |
| EINECS 244-759-8 |
| Enantyum |
| (±)-Ketoprofen |
| Topre |
| 2-(3-benzoylphenyl)propionic acid |
| aneol |
