N-(4-Aminobenzoyl)-beta-alanine

CAS NO.：7377-08-4
Empirical Formula: C10H12N2O3
Molecular Weight: 208.21
MDL number: MFCD00009805
EINECS: 616-017-7
SAFETY DATA SHEET (SDS)
Update Date: 2024-11-18 17:01:59

What is N-(4-Aminobenzoyl)-beta-alanine?

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

The Uses of N-(4-Aminobenzoyl)-beta-alanine

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.

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

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)
CAS DataBase Reference	7377-08-4(CAS DataBase Reference)

Safety information for N-(4-Aminobenzoyl)-beta-alanine

Signal word	Warning
Pictogram(s)	Exclamation Mark Irritant GHS07
GHS Hazard Statements	H315:Skin corrosion/irritation H319:Serious eye damage/eye irritation H335:Specific target organ toxicity, single exposure;Respiratory tract irritation
Precautionary Statement Codes	P261:Avoid breathing dust/fume/gas/mist/vapours/spray. P304+P340:IF INHALED: Remove victim to fresh air and Keep at rest in a position comfortable for breathing. P305+P351+P338:IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continuerinsing. P405:Store locked up.