アミノオキシ酢酸

(Aminooxy)acetic acid

HCID 286

基本情報

CAS: 645-88-5
標準SMILES: NOCC(=O)O
InChIKey: NQRKYASMKDDGHT-UHFFFAOYSA-N
分子式: C2H5NO3
平均分子量: 91.07 g/mol
単同位体質量: 91.02694302

概要

(aminooxy)acetic acid is a member of the class of hydroxylamines that is acetic acid substituted at postion 2 by an aminooxy group. It is a compound which inhibits aminobutyrate aminotransferase activity in vivo, resulting in increased levels of gamma-aminobutyric acid in tissues. It has a role as an anticonvulsant, an EC 4.2.1.22 (cystathionine beta-synthase) inhibitor, an EC 2.6.1.19 (4-aminobutyrate--2-oxoglutarate transaminase) inhibitor and a nootropic agent. It is a member of hydroxylamines, a monocarboxylic acid and an amino acid. It is a conjugate acid of an (aminooxy)acetate.

名称と識別子

優先名称: (Aminooxy)acetic acid
IUPAC: 2-aminooxyacetic acid
現地名: アミノオキシ酢酸
英語名: Hydroxylamine, O-(carboxymethyl)-
分子式: C2H5NO3
分子量: 91.07

名称と別名

Aminooxyacetic acid645-88-52-(Aminooxy)acetic acid(aminooxy)acetic acidaminoxyacetic acidAOAA2-aminooxyacetic acidCarboxymethoxyamine(Carboxymethoxy)amineACETIC ACID, (AMINOOXY)-(o-Carboxymethyl)hydroxylamineu-7524

名称をさらに表示

アミノオキシ酢酸2-(アミノオキシ)酢酸(アミノオキシ)酢酸O-(カルボキシメチル)ヒドロキシルアミンO-(Carboxymethyl)hydroxylamine(aminooxy)acetateAcetic acid,2-(aminooxy)-2-(Aminooxy)-acetic acid HCl

14I68GI3OQCHEBI:40823DTXSID50214756Acid, AminooxyaceticRefChem:112056DTXCID80137247Aminooxy-acetic acidcarboxymethoxylamine

データベース識別子

CAS: 645-88-5
PubChem CID: 286
DTXSID: DTXSID50214756
ChEMBL: CHEMBL347862
ChEBI: CHEBI:40823
UNII: 14I68GI3OQ
Nikkaji: J36.275A

物性

構造計算による物性

XLogP: -3.4
極性表面積: 72.6 Å²
水素結合供与体数: 2
水素結合受容体数: 4
回転可能結合数: 2
重原子数: 6
形式電荷: 0
複雑度: 52.8

実験および物理化学的性質

DrugsPharmaceuticals -> Listed in ZINC15

物理化学的性質

融点: 138 ℃ · 138℃
沸点: 327 ℃ · 327℃
比重(密度): 1.375 · 1.375
屈折率: 1.4264 · 1.4264 (estimate)
闪点: 151 ℃ · 151℃
酸解離定数(Pka): 1.92 · 1.92±0.10(Predicted)

安全と法規制

安全データ

毒性: LD50 intraperitoneal in mouse: 40mg/kg

化学と産業

薬理情報

MeSH Pharmacological Classification · 2 件

Compounds or agents that combine with an enzyme in such a manner as to prevent the normal substrate-enzyme combination and the catalytic reaction.

Substances used for their pharmacological actions on GABAergic systems. GABAergic agents include agonists, antagonists, degradation or uptake inhibitors, depleters, precursors, and modulators of receptor function.