117391-56-7

Basic information

• Product Name: 3-(2,3-DICHLOROPHENYL)-BETA-ALANINE
• Synonyms: BIO-FARMA BF000142;DL-3-AMINO-3-(2,3-DICHLORO-PHENYL)-PROPIONIC ACID;3-AMINO-3-(2,3-DICHLOROPHENYL)PROPANOIC ACID;3-AMINO-3-(2,3-DICHLORO-PHENYL)-PROPIONIC ACID;3-(2,3-DICHLOROPHENYL)-BETA-ALANINE;RARECHEM AK HC T314;VITAS-BB TBB000171;(RS)-3-Amino-3-(2,3-dichlorophenyl)-propionic acid
• CAS NO: 117391-56-7
• Molecular Formula: C₉H₉Cl₂NO₂
• Molecular Weight: 234.08
• Mol File: 117391-56-7.mol
• Article Data: 2

Chemical Properties

• Melting Point: 232-235
• Boiling Point: 363 °C at 760 mmHg
• Flash Point: 173.3 °C
• Appearance: /
• Density: 1.447 g/cm³
• Vapor Pressure: 6.62E-06mmHg at 25°C
• Refractive Index: 1.6
• Storage Temp.: 2-8°C(protect from light)
• CAS DataBase Reference: 3-(2,3-DICHLOROPHENYL)-BETA-ALANINE(CAS DataBase Reference)
• NIST Chemistry Reference: 3-(2,3-DICHLOROPHENYL)-BETA-ALANINE(117391-56-7)
• EPA Substance Registry System: 3-(2,3-DICHLOROPHENYL)-BETA-ALANINE(117391-56-7)

Safety Data

• Hazard Codes: Xi
• HazardClass: IRRITANT
• Hazardous Substances Data: 117391-56-7(Hazardous Substances Data)

Usage

General Description

3-(2,3-Dichlorophenyl)-beta-alanine is a chemical compound with the molecular formula C9H8Cl2NO2. It is a derivative of beta-alanine, a non-essential amino acid that is naturally found in the human body and is also obtained from the diet. 3-(2,3-DICHLOROPHENYL)-BETA-ALANINE contains two chlorine atoms and a phenyl group attached to the beta-alanine backbone. It has been studied for its potential pharmacological properties, including its role as a potential anti-inflammatory and analgesic agent. Additionally, it has been investigated for its potential use as a building block in the synthesis of pharmaceutical compounds. Overall, 3-(2,3-dichlorophenyl)-beta-alanine is a compound of interest due to its chemical structure and potential pharmacological activities.

InChI:InChI=1/C9H9Cl2NO2/c10-6-3-1-2-5(9(6)11)7(12)4-8(13)14/h1-3,7H,4,12H2,(H,13,14)/t7-/m0/s1

Upstream product

• 141-82-2 malonic acid 
• 6334-18-5 2,3-dichlorobenzylaldehyde 

Downstream Products

• 1318782-91-0 3-(2,3-dichloro-phenyl)-3-{[1-(2,4-difluoro-phenyl)-5-hydroxy-1H-pyrazole-3-carbonyl]-amino}-propionic acid 
• 1318782-73-8 3-(2,3-dichloro-phenyl)-3-[(5-hydroxy-1-phenyl-1H-pyrazole-3-carbonyl)-amino]-propionic acid 
• 284493-64-7 3-[(tert-Butoxycarbonyl)amino]-3-(2,3-dichlorophenyl)propanoic acid 
• 117291-39-1 3-(2,3-Dichloro-phenyl)-3-(2,2,2-trifluoro-acetylamino)-propionyl chloride 
• 117291-21-1 3-(2,3-Dichloro-phenyl)-3-(2,2,2-trifluoro-acetylamino)-propionic acid 

Relevant articles and documents

Structure activity relationships of αv integrin antagonists for pulmonary fibrosis by variation in aryl substituents

Antagonism of αvβ6 is emerging as a potential treatment of idiopathic pulmonary fibrosis based on strong target validation. Starting from an αvβ3 antagonist lead and through simple variation in the nature and position of the aryl substituent, the discovery of compounds with improved αvβ6 activity is described. The compounds also have physicochemical properties commensurate with oral bioavailability and are high quality starting points for a drug discovery program. Compounds 33S and 43E1 are pan αv antagonists having ca. 100 nM potency against αvβ3, αvβ5, αvβ6, and αvβ8 in cell adhesion assays. Detailed structure activity relationships with these integrins are described which also reveal substituents providing partial selectivity (defined as at least a 0.7 log difference in pIC50 values between the integrins in question) for αvβ3 and αvβ5.