57821-78-0

Basic information

• Product Name: 4-OXO-4-(4-PROPYLPHENYL)BUTANOIC ACID
• Synonyms: 3-(4-N-PROPYLBENZOYL)PROPIONIC ACID;4-(4-N-PROPYLPHENYL)-4-OXOBUTYRIC ACID;4-OXO-4-(4-PROPYLPHENYL)BUTANOIC ACID;3-(4-Propylbenzoyl)-propionic acid
• CAS NO: 57821-78-0
• Molecular Formula: C₁₃H₁₆O₃
• Molecular Weight: 220.26
• Mol File: 57821-78-0.mol
• Article Data: 5

Chemical Properties

• Melting Point: 117 °C
• Boiling Point: 408.3 °C at 760 mmHg
• Flash Point: 214.9 °C
• Appearance: /
• Density: 1.112 g/cm³
• Vapor Pressure: 2.13E-07mmHg at 25°C
• Refractive Index: 1.531
• PKA: 4.57±0.17(Predicted)
• CAS DataBase Reference: 4-OXO-4-(4-PROPYLPHENYL)BUTANOIC ACID(CAS DataBase Reference)
• NIST Chemistry Reference: 4-OXO-4-(4-PROPYLPHENYL)BUTANOIC ACID(57821-78-0)
• EPA Substance Registry System: 4-OXO-4-(4-PROPYLPHENYL)BUTANOIC ACID(57821-78-0)

Safety Data

• Hazard Codes: Xi
• Statements: R36/37/38:Irritating to eyes, respiratory system and skin.
• Safety Statements: S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.; S37/39:Wear suitable g
• Hazardous Substances Data: 57821-78-0(Hazardous Substances Data)

Usage

General Description

4-OXO-4-(4-PROPYLPHENYL)BUTANOIC ACID, also known as 4-Ketoprofen, is a non-steroidal anti-inflammatory drug (NSAID) that is used for its analgesic and anti-inflammatory properties. It is a derivative of propionic acid and is commonly used to relieve pain and reduce inflammation associated with conditions such as arthritis, menstrual cramps, and sports injuries. 4-Ketoprofen inhibits the production of prostaglandins, which are responsible for causing pain and inflammation in the body. It works by blocking the enzyme cyclooxygenase, which in turn reduces the production of prostaglandins. This chemical has the potential to cause side effects such as stomach ulcers, kidney problems, and allergic reactions, and should be used under the supervision of a medical professional.

InChI:InChI=1/C13H16O3/c1-2-3-10-4-6-11(7-5-10)12(14)8-9-13(15)16/h4-7H,2-3,8-9H2,1H3,(H,15,16)

Upstream product

• 108-30-5 succinic acid anhydride 
• 103-65-1 phenylpropane 

Downstream Products

• 867131-12-2 6-(4-propyl-phenyl)-4,5-dihydro-2H-pyridazin-3-one 
• 2438-05-3 4-n-propylbenzoic acid 
• 25711-53-9 4-(4-n-propylphenyl)butanoic acid 
• 107671-94-3 3-(4-Pentyl-phenyl)-6-(4-propyl-phenyl)-pyridazine 
• 107671-97-6 3-(4-Propyl-benzyloxy)-6-(4-propyl-phenyl)-pyridazine 
• 107671-98-7 3-(4-Pentyl-cyclohexylmethoxy)-6-(4-propyl-phenyl)-pyridazine 
• 107671-93-2 3-Ethoxy-6-(4-propyl-phenyl)-pyridazine 
• 115127-90-7 3-Chloro-6-(4'-propylphenyl)-pyridazine 
• 107549-80-4 6-(4-propylphenyl)pyridazin-3(2H)-one 
• 183130-17-8 5-(2-Chloro-phenyl)-7-[2-(4-propyl-phenyl)-ethyl]-1,3-dihydro-thieno[2,3-e][1,4]diazepin-2-one 
• 1026410-20-7 N-{3-(2-Chloro-benzoyl)-5-[2-(4-propyl-phenyl)-ethyl]-thiophen-2-yl}-2-iodo-acetamide 
• 183130-01-0 2-Chloro-N-{3-(2-chloro-benzoyl)-5-[2-(4-propyl-phenyl)-ethyl]-thiophen-2-yl}-acetamide 
• 183130-09-8 2-Amino-N-{3-(2-chloro-benzoyl)-5-[2-(4-propyl-phenyl)-ethyl]-thiophen-2-yl}-acetamide 
• 183129-93-3 {2-Amino-5-[2-(4-propyl-phenyl)-ethyl]-thiophen-3-yl}-(2-chloro-phenyl)-methanone 

Relevant articles and documents

Synthesis, anti-convulsant activity and molecular docking study of novel thiazole pyridazinone hybrid analogues

Pyridazinone analogues have been known to be potential candidates for anticonvulsant agents. We have identified several pyridazinone-based anticonvulsant agents. As a continuation to our previous research, a series of hybrid pyridazinone-thiazole connected through amide linkage were designed and synthesized. Among these, compound SP-5F demonstrated significant anticonvulsant activity with median effective dose of 24.38 mg/kg (MES) and 88.23 mg/kg (scPTz). Results of GABA estimation showed a marked increase in the GABA level when compared with control. Molecular docking studies at the active site of GABA receptor, further confirmed the GABA modulatory effects of SP-5F.

Structural optimization of 4-(2-chlorophenyl)-9-methyl-6H-thieno [3,2-f][1,2,4]triazolo[4,3-a][1,4]diazepines as antagonists for platelet activating factor: Pharmacological contribution of substituents at the 2- and 6-positions of a condensed ring system

A series of 4-(2-chlorophenyl)-9-methyl-6H-thieno [3,2-f][1,2,4]triazolo[4,3-a][1,4]diazepine derivatives bearing substituents at the 2- and 6-positions were synthesized, and evaluated in vitro for their inhibitory activity on rabbit platelet aggregation induced by platelet activating factor (PAF) and in vivo for their preventing effect on PAF-induced mortality in mice. The length of alkyl or arylalkyl side chain at the 2-position was responsible for enhancing the affinity for the PAF receptor. The simultaneous substitution at both the 2- and 6-positions resulted in a successful separation of the affinity for the PAF receptor from that for the benzodiazepine (BZ) receptor. Thus, (±)-4-(2-chlorophenyl)-2-[2-(4-isobutylphenyl)ethyl]- 6,9-dimethyl-6H-thieno[3,2-f][1,2,4]triazolo[4,3-a][1,4] diazepine (Y-24180) was confirmed to be a specific antagonist for the PAF receptor and is currently under clinical trials.

Synthese und kristallin-fluessige Eigenschaften einiger 3,6-disubstituierter Pyridazine

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