N-(4-アミノベンゾイル)-β-アラニン

N-(4-Aminobenzoyl)-beta-alanine

HCID 719629
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基本情報

CAS
7377-08-4
標準SMILES
Nc1ccc(C(=O)NCCC(=O)O)cc1
InChIKey
VHAXWROFYVPXMZ-UHFFFAOYSA-N
分子式
C10H12N2O3
平均分子量
208.21 g/mol
単同位体質量
208.08479224

概要

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

名称と識別子

優先名称
N-(4-Aminobenzoyl)-beta-alanine
IUPAC
3-[(4-aminobenzoyl)amino]propanoic acid
現地名
N-(4-アミノベンゾイル)-β-アラニン
英語名
N-(4-Aminobenzoyl)-beta-alanine
分子式
C10H12N2O3
分子量
208.21

名称と別名

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
名称をさらに表示
N-(4-アミノベンゾイル)-Β-アラニン3-(4-アミノベンズアミド)プロピオン酸3-[(4-アミノベンゾイル)アミノ]プロパン酸3-[(4-アミノフェニル)ホルムアミド]プロパン酸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

データベース識別子

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

物性

構造計算による物性

XLogP
0
極性表面積
92.4 Ų
水素結合供与体数
3
水素結合受容体数
4
回転可能結合数
4
重原子数
15

物理化学的性質

融点
152 · 152-154 °C(lit.)
沸点
347.41 °C · 347.41°C (rough estimate)
比重(密度)
1.242 · 1.2420 (rough estimate)
蒸気圧
0 Pa · 0Pa at 20℃
屈折率
1.483 · 1.4830 (estimate)
貯蔵温度
2 · under inert gas (nitrogen or Argon) at 2–8 °C

化学的性質

化学的特性white to light orange-brown crystalline powder

安全と法規制

GHS分類

GHS Classification · 5 件

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.

危険有害性情報

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

安全データ

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

化学と産業

薬理情報

Tissue LocationsKidney
Cellular LocationsCytoplasm
応用分野 · 2 件

説明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.

使用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.

サプライヤー99 社

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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]

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