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Merck

157058

Sigma-Aldrich

2-苯并噁唑酮

98%

别名:

2-羟基苯并噁唑

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About This Item

经验公式(希尔记法):
C7H5NO2
CAS号:
分子量:
135.12
Beilstein:
119481
EC 号:
MDL编号:
UNSPSC代码:
12352100
PubChem化学物质编号:
NACRES:
NA.22

方案

98%

mp

137-139 °C (lit.)

SMILES字符串

O=C1Nc2ccccc2O1

InChI

1S/C7H5NO2/c9-7-8-5-3-1-2-4-6(5)10-7/h1-4H,(H,8,9)

InChI key

ASSKVPFEZFQQNQ-UHFFFAOYSA-N

基因信息

human ... CYP1A2(1544)

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一般描述

2-苯并恶唑啉酮是一种植物抗磷脂,研究了其在Aphelandra tetragona内生真菌中的生物转化。2-苯并恶唑啉酮是黑麦的天然产物,具有很强的药用价值。

象形图

Exclamation mark

警示用语:

Warning

危险声明

危险分类

Acute Tox. 4 Dermal - Acute Tox. 4 Inhalation - Acute Tox. 4 Oral

储存分类代码

11 - Combustible Solids

WGK

WGK 3

闪点(°F)

320.0 °F - closed cup

闪点(°C)

160 °C - closed cup

个人防护装备

dust mask type N95 (US), Eyeshields, Gloves


历史批次信息供参考:

分析证书(COA)

Lot/Batch Number

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M Zikmundová et al.
Applied and environmental microbiology, 68(10), 4863-4870 (2002-09-27)
The biotransformation of the phytoanticipins 2-benzoxazolinone (BOA) and 2-hydroxy-1,4-benzoxazin-3-one (HBOA) by four endophytic fungi isolated from Aphelandra tetragona was studied. Using high-performance liquid chromatography-mass spectrometry, several new products of acylation, oxidation, reduction, hydrolysis, and nitration were identified. Fusarium sambucinum detoxified
Geneviève Chiapusio et al.
Journal of experimental botany, 55(402), 1587-1592 (2004-06-08)
The molecular aspects of phytochemical interactions between plants, especially the process of phytochemical translocation by the target plant, remain challenging for those studying allelopathy. 2-Benzoxazolinone (BOA) is a natural chemical produced by rye (Secale cereale) and is known to have
Jiaoyang Jiang et al.
Nature chemical biology, 8(1), 72-77 (2011-11-16)
Glycosyltransferases (Gtfs) catalyze the formation of a diverse array of glycoconjugates. Small-molecule inhibitors to manipulate Gtf activity in cells have long been sought as tools for understanding Gtf function. Success has been limited because of challenges in designing inhibitors that
Takayuki Fukaya et al.
Journal of medicinal chemistry, 56(20), 8191-8195 (2013-09-21)
Optimization of the pharmacokinetic properties for a series of benzoxazolone derivatives led to the identification of 9b, which showed anxiolytic effect in a rat model. However, 9b, like known benzodiazepines, induced motor impairment. Investigation into the cause of this unexpected
Xiaojun Han et al.
Bioorganic & medicinal chemistry letters, 23(6), 1870-1873 (2013-02-14)
Various substituted indazole and benzoxazolone amino acids were investigated as d-tyrosine surrogates in highly potent CGRP receptor antagonists. Compound 3, derived from the 7-methylindazole core, afforded a 30-fold increase in CGRP binding potency compared with its unsubstituted indazole analog 1.

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