Ebselen 2-苯基苯并[d][1,2]硒唑-3(2H)-酮

CAS 60940-34-3 MFCD00210937

化学结构图

60940-34-3
SMILES: O=C1C2C=CC=CC=2[Se]N1C1C=CC=CC=1

化学属性

Mol. FormulaC13H9NOSe
Mol. Weight274
Melting Point181.0 to 185.0 deg-C

别名和识别编码

Chemical NameEbselen
Synonym 1,2-Benzisoselenazol-3(2H)-one, 2-phenyl- 2-Phenyl-1,2-benzisoselenazol-3(2H)-one 2-Phenyl-1,2-benzoisoselenazol-3(2H)-one 2-Phenyl-benzo[d]isoselenazol-3-one Ebselen Lopac E 3520 NSC 639762 PZ 51 {} {uni_hamburg}
MDL NumberMFCD00210937
PubChem Substance ID172088918
CAS Number60940-34-3
Chemical Name Translation2-苯基苯并[d][1,2]硒唑-3(2H)-酮
Reaxys-RN164926
Merck Number3486
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分类

  • {uni_hamburg} no charge; nitrogen heterocycle; other heterocycle; carbocycle; aromatic; large ring; fused rings; 5ring; 6ring; 9ring; amide; lactame; 1fragment
  • {SNA} Antioxidants and Cytoprotectants, Bioactive Small Molecules, Biochemicals and Reagents, Cell Biology, Cell Signaling and Neuroscience,
  • Antioxidants and Cytoprotectants, Bioactive Small Molecules, Biochemicals and Reagents, Cell Biology, Cell Signaling and Neuroscience, Cell Stress, D to K, E, Enzyme Inhibitors, Enzyme Inhibitors by Enzyme, Enzymes, Inhibitors, and Substrates, Glutathione S-transferase, Nitric Oxide and Cell Stress, P to Q, Papain, Protease Inhibitor Specificity Index, Protease Inhibitors
  • {SNA} D to K, Enzyme Inhibito

相关文献及参考

  • [2]. H Sies, et al. Ebselen, a Selenoorganic Compound as Glutathione Peroxidase Mimic
  • [3]. Jin Z, et al. Structure of M pro from COVID-19 virus and discovery of its inhibitors. Nature. 2020 Apr 9.
  • [4]. Thenin-Houssier S, et al. Ebselen, a Small-Molecule Capsid Inhibitor of HIV-1 Replication. Antimicrob Agents Chemother. 2016 Mar 25;60(4):2195-208.
  • [5]. Singh N, et al. A safe lithium mimetic for bipolar disorder. Nat Commun. 2013;4:1332. doi: 10.1038/ncomms2320.
  • [6]. Hanavan PD, et al. Ebselen inhibits QSOX1 enzymatic activity and suppresses invasion of pancreatic and renal cancer cell lines. Oncotarget. 2015 Jul 30;6(21):18418-28.
  • 1. Terentis, A.C., et al., The selenazal drug ebselen potently inhibits indoleamine 2,3-dioxygenase by targeting enzyme cysteine residues Biochemistry 49 , 591-600, (2010) 摘要
  • Merck 14 ,3486
  • Nikawa, T., et al. Biochem. Pharmacol. 47 , 1007, (1994) 摘要
  • Noguchi, N., et al. Biochim

安全信息

WGK Germany3
GHS Symbol
Precautionary statements
  • P260 Do not breathe dust/fume/gas/mist/vapours/spray. 不要吸入粉尘/烟/气体/烟雾/蒸汽/喷雾。
  • P273 Avoid release to the environment. 避免释放到环境中。
  • P501 Dispose of contents/container to..… 处理内容物/容器.....
  • P391 Collect spillage. Hazardous to the aquatic environment 收集对水环境有危害的泄漏物。
  • P314 Get medical advice/attention if you feel unwell. 获取医疗咨询/就医,如果你觉得不舒服
  • P301+P310
  • P261 Avoid breathing dust/fume/gas/mist/vapours/spray. 避免吸入粉尘/烟/气体/烟雾/蒸汽/喷雾。
  • P311 Call a POISON CENTER or doctor/physician. 呼叫解毒中心或医生/医师。
Signal word Danger
Hazard statements
  • H410 Verytoxictoaquaticlifewithlonglastingeffects 对水生生物毒性非常大并具有长期影响。
  • H331 Toxic if inhaled 吸入中毒
  • H373 May causes damage to organs through prolonged or repeated exposure 长期或频繁接触可能会损伤器官
  • H301 Toxic if swallowed 吞食有毒
Hazard Codes T,N
RTECSDE4140750
TYPE OF TEST            : LD - Lethal dose
ROUTE OF EXPOSURE       : Oral
SPECIES OBSERVED        : Rodent - rat
DOSE/DURATION           : >4600 mg/kg
TOXIC EFFECTS :
   Details of toxic effects not reported other than lethal dose value
REFERENCE :
   EPXXDW European Patent Application. (U.S. Patent and Trademark Office,
   Foreign Patents, Washington, DC 20231)  Volume(issue)/page/year: #0044971

TYPE OF TEST            : LD - Lethal dose
ROUTE OF EXPOSURE       : Oral
SPECIES OBSERVED        : Rodent - mouse
DOSE/DURATION           : >2150 mg/kg
TOXIC EFFECTS :
   Details of toxic effects not reported other than lethal dose value
REFERENCE :
   EPXXDW European Patent Application. (U.S. Patent and Trademark Office,
   Foreign Patents, Washington, DC 20231)  Volume(issue)/page/year: #0044971

Safety Statements
  • S60 This material and its container must be disposed of as hazardous waste 该物质及其容器必须作为危险废物处置;
  • S61 Avoid release to the environment. Refer to special instructions/safety data sheet 避免释放到环境中,参考特别指示/安全收据说明书;
  • S20/21 When using do not eat, drink or smoke 使用时,不得进食,饮水或吸烟;
  • S28 After contact with skin, wash immediately with plenty of ... (to be specified by the manufacturer) 皮肤接触后,立即用大量…(由生产厂家指定)冲洗;
  • S45 In case of accident or if you feel unwell seek medical advice immediately (show the label where possible) 发生事故时或感觉不适时,立即求医(可能时出示标签);
Risk Statements
  • R33 Danger of cumulative effects 有累积作用的危险
  • R23/25 Toxic by inhalation and if swallowed 吸入及吞食都有毒
  • R50/53
Hazard Class9
UN Number 3077
Storage condition 0-10°C
Packing GroupIII

系列性分类


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