80971-95-5

Basic information

• Product Name: 3-AMINO-3-(4-CYANOPHENYL)PROPANOIC ACID
• Synonyms: RARECHEM AK HD C008;DL-3-AMINO-3-(4-CYANO-PHENYL)-PROPIONIC ACID;3-AMINO-3-(4-CYANOPHENYL)PROPANOIC ACID;3-AMINO-3-(4-CYANOPHENYL)PROPIONIC ACID;(RS)-3-Amino-3-(4-cyanophenyl)-propionic acid;DL-3-Amino-3-(4-cyanophenyl)propanoic acid
• CAS NO: 80971-95-5
• Molecular Formula: C₁₀H₁₀N₂O₂
• Molecular Weight: 190.2
• Mol File: 80971-95-5.mol
• Article Data: 4

Chemical Properties

• Melting Point: 226-228°(dec)
• Boiling Point: 395.4 °C at 760 mmHg
• Flash Point: 192.9 °C
• Appearance: /
• Density: 1.28 g/cm³
• Vapor Pressure: 5.83E-07mmHg at 25°C
• Refractive Index: 1.595
• Storage Temp.: 2-8°C
• CAS DataBase Reference: 3-AMINO-3-(4-CYANOPHENYL)PROPANOIC ACID(CAS DataBase Reference)
• NIST Chemistry Reference: 3-AMINO-3-(4-CYANOPHENYL)PROPANOIC ACID(80971-95-5)
• EPA Substance Registry System: 3-AMINO-3-(4-CYANOPHENYL)PROPANOIC ACID(80971-95-5)

Safety Data

• HazardClass: IRRITANT
• Hazardous Substances Data: 80971-95-5(Hazardous Substances Data)

Usage

General Description

3-Amino-3-(4-Cyanophenyl)propanoic Acid is a chemical compound containing both amino and carboxylic acid functional groups. Its structure consists of a propanoic acid backbone with an amino group attached to the third carbon atom and a cyanophenyl group attached to the same carbon. The presence of the cyanophenyl group imparts aromaticity, which could influence its reactivity and physical properties. It could potentially be useful in the synthesis of more complex compounds due to the presence of multiple reactive sites. However, detailed information about its physical properties, uses, safety, and potential applications in pharmaceuticals or materials science are typically not readily available, suggesting that it may be a niche compound or one that is relatively less investigated or applied.

InChI:InChI=1/C10H10N2O2/c11-6-7-1-3-8(4-2-7)9(12)5-10(13)14/h1-4,9H,5,12H2,(H,13,14)

Upstream product

• 141-82-2 malonic acid 
• 105-07-7 4-cyanobenzaldehyde 

Downstream Products

• 80971-97-7 3-(4-Cyano-phenyl)-3-(toluene-4-sulfonylamino)-propionic acid 
• 80971-98-8 3-(4-Cyano-phenyl)-3-(naphthalene-2-sulfonylamino)-propionic acid 
• 288848-50-0 ethyl (+/-)-3-amino-3-(4-cyanophenyl)propanoate 
• 501015-22-1 (+/-)-3-(tert-butoxycarbonylamino)-3-(4-cyanophenyl)propanoic acid 
• 517905-92-9 (+/-)-3-(9-fluorenylmethoxycarbonylamino)-3-(4-cyanophenyl)propanoic acid 
• 738606-24-1 (R)-3-amino-3-(4-cyanophenyl)propanoic acid 
• 718596-77-1 (S)-3-amino-3-(4-cyanophenyl)propanoic acid 
• 500770-82-1 (S)-3-(tert-butoxycarbonylamino)-3-(4-cyanophenyl)propanoic acid 
• 501015-22-1 (R)-3-(tert-butoxycarbonylamino)-3-(4-cyanophenyl)propanoic acid 
• 738606-23-0 ethyl (S)-3-butanoylamino-3-(4-cyanophenyl)propanoate 
• 517905-92-9 (R)-3-(9-fluorenylmethoxycarbonylamino)-3-(4-cyanophenyl)propanoic acid 
• 517905-92-9 (S)-3-(9-fluorenylmethoxycarbonylamino)-3-(4-cyanophenyl)propanoic acid 
• 288848-57-7 3-(4-cyanophenyl)-2,3-dihydro-1H-pyrrolizin-1-one 
• 288848-53-3 ethyl 3-(4-cyanophenyl)-3-(pyrrol-1-yl)propionate 

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.

Structural modifications of thalidomide produce analogs with enhanced tumor necrosis factor inhibitory activity

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