N-(4-Aminobenzoyl)-beta-alanine Chemical Properties

Melting point:

152-154 °C(lit.)

Boiling point:

347.41°C (rough estimate)

Density 

1.2420 (rough estimate)

vapor pressure 

0Pa at 20℃

refractive index 

1.4830 (estimate)

storage temp. 

under inert gas (nitrogen or Argon) at 2–8 °C

solubility 

DMSO, Methanol (Slightly), Water (Slightly, Heated)

form 

Solid

pka

4.36±0.10(Predicted)

color 

White to Off-White

InChI

InChI=1S/C10H12N2O3/c11-8-3-1-7(2-4-8)10(15)12-6-5-9(13)14/h1-4H,5-6,11H2,(H,12,15)(H,13,14)

InChIKey

VHAXWROFYVPXMZ-UHFFFAOYSA-N

SMILES

C1(C=CC(N)=CC=1)C(=O)NCCC(=O)O

LogP

-1.19 at 25℃ and pH7.5

Surface tension

71.6mN/m at 1g/L and 20℃

CAS DataBase Reference

7377-08-4(CAS DataBase Reference)

Safety Information

Hazard Codes 

Xi

Risk Statements 

36/37/38

Safety Statements 

26-37/39

WGK Germany 

3

HS Code 

2924.29.7790

MSDS

• Language:English Provider:ACROS
• Language:English Provider:SigmaAldrich
• Language:English Provider:ALFA

N-(4-Aminobenzoyl)-beta-alanine Usage And Synthesis

Description

N-(4-Aminobenzoyl)-beta-alanine is a molecule that was identified in the 1960s and has been used extensively for research purposes. It is a prodrug that is converted to salicylic acid in vivo. The drug has been shown to scavenge reactive oxygen species, inhibit the enzyme catalase, and protect against oxidative damage. N-(4-Aminobenzoyl)-beta-alanine also provides protection against colitis by inhibiting peroxide production and preventing oxidative damage of colon cells. This drug is orally active and may have potential clinical applications for patients with catalase deficiency or peroxide-mediated diseases such as colitis.

Chemical Properties

white to light orange-brown crystalline powder

Uses

N-(4-aminobenzoyl)-β-Alanine is a metabolite of BX661A, a therapeutic agent used in the treatment of ulcerative colitis, chemotaxis and reactive oxygen species production in polymorphonuclear leukocy ctes. Inhibits lipid peroxidation in large intestinal mucosa after mesenteric ischemia/reperfusion.

Definition

ChEBI: 4-Aminobenzoyl-(beta)-alanine is an organooxygen compound and an organonitrogen compound. It is functionally related to a beta-amino acid.

N-(4-Aminobenzoyl)-beta-alanine(7377-08-4)Related Product Information

• Benzoyl peroxide
• Calcium folinate
• p-Aminobenzamide
• β-Alanine
• DL-Alanine
• Glycine
• Propionic acid
• L-Alanine
• Dibenzoylmethane
• N-(4-Nitrobenzoyl)-beta-alanine
• Balsalazide disodium
• Balsalazide
• 3-[(3-AMINO-4-METHYLAMINO-BENZOYL)-PYRIDIN-2-YL-AMINO]-PROPIONIC ACID ETHYL ESTER
• N-[4-[[(2-Amino-1,4-dihydro-4-oxopteridin-6-yl)methyl]amino]benzoyl]-L-aspartic acid
• N-(4-Aminobenzoyl)-beta-alanine
• BALSALAZIDE-13C2,15N1
• 3-[(3-methyl-4-nitrophenyl)formamido]propanoic acid
• BALSALAZIDE-3-METHYL ANALOGUE DISODIUM SALT