N-(4-Aminobenzoyl)-beta-alanine
- CAS No.
- 7377-08-4
- Chemical Name:
- N-(4-Aminobenzoyl)-beta-alanine
- Synonyms
- 7377-08-4-;TIMTEC-BB SBB000472;N-(4-Aminobenzoyl)-;Balsalazide Impurity 2;Balsalazide Impurity 5;Balsalazide Aminobenzoyl;Balsalazide Amino Impurity;N-(4-Aminobenzoyl)--alanine;P-aminobenzoyl-beta-alanine;n-(4-aminobenzoyl)-á-alanine
- CBNumber:
- CB1142204
- Molecular Formula:
- C10H12N2O3
- Molecular Weight:
- 208.21
- MOL File:
- 7377-08-4.mol
- MSDS File:
- SDS
- Modify Date:
- 2023/11/3 20:31:20
| 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
Risk and Safety Statements
| Symbol(GHS) |  GHS07 |
|||||||||
|---|---|---|---|---|---|---|---|---|---|---|
| Signal word | Warning | |||||||||
| Hazard statements | H315-H319-H335 | |||||||||
| Precautionary statements | P261-P280a-P304+P340-P305+P351+P338-P405-P501a | |||||||||
| Hazard Codes | Xi | |||||||||
| Risk Statements | 36/37/38 | |||||||||
| Safety Statements | 26-37/39 | |||||||||
| WGK Germany | 3 | |||||||||
| HS Code | 2924.29.7790 | |||||||||
| NFPA 704 |
|
N-(4-Aminobenzoyl)-beta-alanine price More Price(2)
N-(4-Aminobenzoyl)-beta-alanine Chemical Properties,Uses,Production
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.
N-(4-Aminobenzoyl)-beta-alanine Preparation Products And Raw materials
Raw materials
Preparation Products
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