110467-60-2

Basic information

• Product Name: (2S)-2-[2-(4-isobutylphenyl)propanoylamino]propanoic acid
• CAS NO: 110467-60-2
• Molecular Formula: C₁₆H₂₃NO₃
• Molecular Weight: 277.36
• Mol File: 110467-60-2.mol
• Article Data: 4

Chemical Properties

• Boiling Point: 487.5°C at 760 mmHg
• Flash Point: 248.6°C
• Density: 1.082g/cm³
• Vapor Pressure: 2.56E-10mmHg at 25°C
• Refractive Index: 1.523
• CAS DataBase Reference: (2S)-2-[2-(4-isobutylphenyl)propanoylamino]propanoic acid(CAS DataBase Reference)
• NIST Chemistry Reference: (2S)-2-[2-(4-isobutylphenyl)propanoylamino]propanoic acid(110467-60-2)
• EPA Substance Registry System: (2S)-2-[2-(4-isobutylphenyl)propanoylamino]propanoic acid(110467-60-2)

Safety Data

• Hazardous Substances Data: 110467-60-2(Hazardous Substances Data)

Usage

General Description

The chemical compound "(2S)-2-[2-(4-isobutylphenyl)propanoylamino]propanoic acid" is a white solid with a molecular formula of C18H23NO3. It is a derivative of the amino acid proline and is classified as a peptide. (2S)-2-[2-(4-isobutylphenyl)propanoylamino]propanoic acid is a type of prodrug, meaning it is converted into its active form in the body. It is commonly utilized as a nonsteroidal anti-inflammatory drug (NSAID) and is known for its analgesic, antipyretic, and anti-inflammatory properties. It works by inhibiting the production of prostaglandins, which are responsible for causing inflammation and pain. This chemical is used primarily in the treatment of various types of pain, including arthritis, menstrual cramps, and muscle aches. Additionally, it may also be prescribed for reducing fever and inflammation.

Upstream product

• 51146-57-7 (R)-ibuprofene 
• 354899-91-5 (S)-2-[(R)-2-(4-isobutylphenyl)propionylamino]propionic acid methyl ester 
• 71381-91-4 (+/-)-2-(4-isobutylphenyl)propanoyl chloride 
• 302-72-7 rac-Ala-OH 
• 15687-27-1 ibuprofen 
• 114978-05-1 (R)-2-(4-isobutylphenyl)propionyl chloride 

Relevant articles and documents

Synthesis of Ibuprofen Hybrid Conjugates as Anti-Inflammatory and Analgesic Agents

Disclosed herein as ibuprofen hybrid conjugates and methods of their use to reduce inflammation, pain, and fever. The ibuprofen conjugates have potent anti-inflammatory and analgesic properties with low potential for ulcerogenic activity. An exemplary com

2-Arylpropionic CXC chemokine receptor 1 (CXCR1) ligands as novel noncompetitive CXCL8 inhibitors

The CXC chemokine CXCL8/IL-8 plays a major role in the activation and recruitment of polymorphonuclear (PMN) cells at inflammatory sites. CXCL8 activates PMNs by binding the seven-transmembrane (7-TM) G-protein-coupled receptors CXC chemokine receptor 1 (CXCR1) and CXC chemokine receptor 2 (CXCR2). (R)-Ketoprofen (1) was previously reported to be a potent and specific noncompetitive inhibitor of CXCLS-induced human PMNs chemotaxis. We report here molecular modeling studies showing a putative interaction site of 1 in the TM region of CXCR1. The binding model was confirmed by alanine scanning mutagenesis and photoaffinity labeling experiments. The molecular model driven medicinal chemistry optimization of 1 led to a new class of potent and specific inhibitors of CXCL8 biological activity. Among these, repertaxin (13) was selected as a clinical candidate drug for prevention of post-ischemia reperfusion injury.