N-(4-Aminobenzoyl)-beta-alanine

HCID 719629CAS 7377-08-4

기본 정보

표준 SMILES
Nc1ccc(C(=O)NCCC(=O)O)cc1
InChIKey
VHAXWROFYVPXMZ-UHFFFAOYSA-N
분자식
C10H12N2O3
평균 분자량
208.21 g/mol
단동위원소 질량
208.08479224

개요

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

이름 및 식별자

우선 이름
N-(4-Aminobenzoyl)-beta-alanine
IUPAC
3-[(4-aminobenzoyl)amino]propanoic acid
영어명
N-(4-Aminobenzoyl)-beta-alanine
분자식
C10H12N2O3
분자량
208.21

이름 및 동의어

N-(4-Aminobenzoyl)-Beta-Alanine7377-08-43-[(4-aminobenzoyl)amino]propanoic AcidAB85LJQ9453-(4-Aminobenzoylamino)propionic acidp-Amino-N-benzoyl-beta-alanine4-aminobenzoyl-beta-alaninebeta-Alanine, N-(p-aminobenzoyl)-3-((4-Aminobenzoyl)amino)propanoic acidbeta-Alanine, N-(4-aminobenzoyl)-DTXSID30224136RefChem:162074
이름 더 보기
7377-08-4-TIMTEC-BB SBB000472N-(4-Aminobenzoyl)-Balsalazide Impurity 5Balsalazide Impurity 2Balsalazide AminobenzoylBalsalazide Amino ImpurityN-(4-Aminobenzoyl)--alanineP-aminobenzoyl-beta-alaninen-(4-aminobenzoyl)-á-alanine
DTXCID30146627616-017-73-(4-aminobenzamido)propanoic acidMFCD00009805n-(4-aminobenzoyl)-b-alaninen-(4-aminobenzoyl)-|A-alanine3-(4-amino-benzoylamino)-propionic acid3-[(4-aminophenyl)formamido]propanoic acid

데이터베이스 식별자

CAS
7377-08-4
PubChem CID
719629
DTXSID
DTXSID30224136
ChEBI
CHEBI:174044
UNII
AB85LJQ945
EC Number
616-017-7
Nikkaji
J650.175C

물성

구조 계산 물성

XLogP
0
극성 표면적
92.4 Ų
수소 결합 공여자 수
3
수소 결합 수용자 수
4
회전 가능 결합 수
4
무거운 원자 수
15

물리화학적 성질

녹는점
152 · 152-154 °C(lit.)
끓는 점
347.41 °C · 347.41°C (rough estimate)
밀도
1.242 · 1.2420 (rough estimate)
증기압
0 Pa · 0Pa at 20℃
굴절률
1.483 · 1.4830 (estimate)
저장 조건
2 · under inert gas (nitrogen or Argon) at 2–8 °C

화학적 성질

white to light orange-brown crystalline powder

안전 및 규제

GHS 분류

GHS Classification · 5건

This chemical does not meet GHS hazard criteria for 20% (1 of 5) of reports.

Warning

H315 (80%): Causes skin irritation [Warning Skin corrosion/irritation]

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 5 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

유해성 정보

Regulatory InformationStatus: Active Update: 17-05-2019 https://echa.europa.eu/registration-dossier/-/registered-dossier/28284

안전 데이터

wgk
3
HS 번호
2924.29.7790
risk_code
36/37/38
hazard_code
Xi
safety_code
26-37/39

화학 및 산업

약리 정보

Tissue LocationsKidney
Cellular LocationsCytoplasm
응용 분야 · 2건

개요N-(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.

용도N-(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.

공급사50 곳

梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
江苏生康迈翔科技有限公司18217475093 · [email protected]
成都彼样生物科技有限公司18108052721 · [email protected]
上海哲研生物科技有限公司021-18017610038 18017610038 · [email protected]

관련 반응

5건

연결된 노트

불러오는 중…