2-phenyl-2,3-dihydro-1,2-benzoselenazol-3-one

• ChemBase编号: 105101
• 分子式: C13H9NOSe
• 平均质量: 274.17666
• 单一同位素质量: 274.98493491
• SMILES: O=c1n([se]c2c1cccc2)c1ccccc1
• Canonical SMILES: O=c1c2ccccc2[se]n1c1ccccc1
• InChI: InChI=1S/C13H9NOSe/c15-13-11-8-4-5-9-12(11)16-14(13)10-6-2-1-3-7-10/h1-9H
• InChIKey: DYEFUKCXAQOFHX-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 2-phenyl-2,3-dihydro-1,2-benzoselenazol-3-one
• IUPAC传统名: ebselen
• 别名: Ebselen; 2-Phenyl-1,2-benzisoselenazol-3(2H)-one; EBSELEN

登记号

• CAS号: 60940-34-3
• MDL号: MFCD00210937
• PubChem SID: 162092086; 24278417
• PubChem CID: 3194
• CHEMBL: 51085
• Chemspider ID: 3082
• 维基百科标题: Ebselen

理论计算性质

• 质子受体: 2
• 质子供体: 0
• LogD (pH = 5.5): 2.6548
• LogD (pH = 7.4): 2.6548
• Log P: 2.6548
• 摩尔折射率: 71.5419 cm^3
• 极化性: 21.920458 Å^3
• 极化表面积: 20.31 Å^2
• 可自由旋转的化学键: 1
• 里宾斯基五规则: true

分子性质

理化性质

• 熔点: 180-181°C

安全信息

• 保存条件: 0°C
• RTECS编号: DE4140750
• 欧盟危险性物质标志: 环境危害性(Nature polluting) (N); 有毒(Toxic) (T)
• 联合国危险货物编号: 3283
• 德国WGK号: 3
• 联合国危险货物等级: 6.1
• 联合国危险货物包装类别(PG): 3
• 危险公开号: 23/25-33-50/53
• 安全公开号: 20/21-28-45-60-61
• GHS危险品标识: GHS06; GHS08; GHS09
• GHS警示词: Danger
• GHS危险声明: H301-H331-H373-H410
• GHS警示性声明: P261-P273-P301 + P310-P311-P501
• RID/ADR: UN 3283 6.1/PG 3
• 保存温度: 2-8°C

产品相关信息

• 纯度: >99%

详细说明

MP Biomedicals - 02158809

Purity: >99%
Novel selenium-containing anti-flammatory agent. Inhibits 5-LO, CO, NADPH oxidase, and protein kinase C. Potent antioxidant. Possesses a unique glutathione peroxidase-like activity.
Also shown to be an inhibitor of free radical induced apoptosis and neuroprotective agent.

Sigma Aldrich - E3520

Biochem/physiol Actions
An organo-selenium compound possessing antioxidant properties. Inhibits mammalian lipoxygenases in the absence of thiol groups, and glutathione S-transferase and papain via the interaction with cysteine residues. Also inhibits indoleamine 2,3-dioxygenase by covalently modifying a cysteine residue, the effect being reversible with dithiothreitol.1 Inhibits oxidation of low density lipoproteins (LDL).

参考文献

• Cotgreave, I.A., et al., Biochem. Pharmacol. , 38 : 649 (1989).