CAS: 923287-50-7; 2,5-Dichloro-3-(5-(3,4-Dihydroxy-5-Nitrophenyl)-1,2,4-Oxadiazol-3-yl)-4,6-Dimethylpyridine 1-Oxide

• 英文名称2,5-Dichloro-3-(5-(3,4-Dihydroxy-5-Nitrophenyl)-1,2,4-Oxadiazol-3-yl)-4,6-Dimethylpyridine 1-Oxide
• 中文名称奥匹帕酮
• IUPAC名称2,5-dichloro-3-(5-(3,4-dihydroxy-5-nitrophenyl)-1,2,4-oxadiazol-3-yl)-4,6-dimethylpyridine 1-oxide
• CAS编号923287-50-7
• MFCD编号:MFCD19443745
• EINECS号:810-046-0
• FDA UNII编号:Y5929UIJ5N
• 分子式:C15H10Cl2N4O6
• 分子量:413.17
• 产品CID: 1961160
• 产品分类生物化工 → 生化试剂 → 激动剂抑制剂

• 相似结构搜索
• InChIKey: ASOADIZOVZTJSR-UHFFFAOYSA-N
• InChI=1S/C15H10Cl2N4O6/c1-5-10(13(17)20(24)6(2)11(5)16)14-18-15(27-19-14)7-3-8(21(25)26)12(23)9(22)4-7/h3-4,22-23H,1-2H3…
• 计算化学: 氢键受体数8.0氢键供体数2.0可旋转键数2.0

物理性质

• 沸点701.1±70.0 °C(预测)
• 密度1.80±0.1 g/cm3(预测)
• pKa:4.67±0.38(预测)
• LogP:3.4
• 溶解性DMSO: 100 mg/mL (242.03 Mm; Need Ultrasonic)H2O: < 0.1 mg/mL (Insoluble)
• 外观形态淡黄色至黄色粉末
• 储存条件-20°C,密闭保存,并保持干燥.
• 产品应用该化合物用于治疗帕金森病的催化分泌-O-甲基转移酶.

MSDS等安全信息

• GHS象形图
• GHS符号GHS02;
  注释: Flame
• 危险类别易燃固体 类别1
  易燃固体 类别2
• 警示词Danger(危险)
• 危险描述H228 |易燃固体.
• 防范说明P261-P305+P351+P338

欧盟法规

上下游产品

合成工艺路线路线简述

• 1044137-00-9 = 923287-50-7
  反应条件:1.1 Reagents: Boron Tribromide Solvents: Dichloromethane; -78 °C; 1 H,Rt; Rt -> -78 °C1.2 Reagents: Water; -78 °C; 1 H,Rt
  标题:Combination Of Deuterated Levodopa With Carbidopa And Opicapone For The Treatment Of Parkinson'S Disease
  参考文献:World Intellectual Property Organization]
  
  952091-17-7 = 923287-50-7
  反应条件:1.1 Reagents: Carbamide Peroxide,Trifluoroacetic Anhydride Solvents: Dichloromethane; Cooled; Overnight,Rt
  标题:Process For Preparation Of Opicapone And Novel Intermediates Thereof
  参考文献:United States]
  
  1402714-41-3 = 923287-50-7
  反应条件:1.1 Reagents: Pyridine,Aluminum Chloride Solvents: N-Methyl-2-Pyrrolidone; 5 °C -> 60 °C; 2 H,60 °C
  标题:A [1,2,4]Oxadiazo Derivative As An Intermediate For Preparation Of A Catechol-O-Methyltransferase Inhibitor Useful In Treatment Of Parkinson'S Disease Via Demethylation And Its Preparation
  参考文献:World Intellectual Property Organization]
  
  = 923287-50-7 [标题:Reaction Conditions
  标题:Dosage Regimen For Comt Inhibitors
  参考文献:United States]
  
  = 923287-50-7 [标题:Reaction Conditions
  标题:Preparation Of Pyridyloxadiazolylnitrobenzenediols And Related Compounds As Catechol O-Methyltransferase (Comt) Inhibitors.
  参考文献:World Intellectual Property Organization]
  
  2356241-51-3 = 923287-50-7
  反应条件:1.1 Reagents: Aluminum Chloride Solvents: Dimethylformamide; 5 - 10 °C; 6 H,85 °C
  标题:Process For The Preparation Of Opicapone And Intermediates Thereof
  参考文献:India]
  
  1044137-00-9 = 923287-50-7
  反应条件:1.1 Reagents: Boron Tribromide Solvents: Dichloromethane; -78 °C; 1 H,Rt; Rt -> -78 °C1.2 Reagents: Water; 1 H,Rt
  标题:Administration Regime For Nitrocatechols
  参考文献:World Intellectual Property Organization]
  
  1044137-00-9 = 923287-50-7
  反应条件:1.1 Reagents: Boron Tribromide Solvents: Dichloromethane; Rt -> -78 °C; 0.5 H,-78 °C -> Rt; Rt -> -20 °C1.2 Reagents: Water; 1 H,Rt
  标题:Discovery Of A Long-Acting,Peripherally Selective Inhibitor Of Catechol-O-Methyltransferase
  作者:Kiss,Laszlo E.; Ferreira,Humberto S.; Torrao,Leonel; Bonifacio,Maria Joao; Palma,P. Nuno; Et Al
  参考文献:Journal Of Medicinal Chemistry 日期:2010 卷标:53(8) 页码:3396-3411]
  
  952091-17-7 = 923287-50-7
  反应条件:1.1 Reagents: Carbamide Peroxide,Trifluoroacetic Anhydride Solvents: Dichloromethane; 5 °C -> 30 °C; 16 H,25 - 30 °C
  标题:Commercially Viable Process Preparation Of Opicapone
  参考文献:World Intellectual Property Organization]
  
  = 923287-50-7 [标题:Reaction Conditions
  标题:Dosage Regimen For Catechol-O-Methyl Transferase Inhibitors For Prevention Or Treatment Of Central And Peripheral Nervous System-Associated Disorders
  参考文献:World Intellectual Property Organization

海关参考信息

• 2907210001-间苯二酚
  2933310010-吡啶
  2908991010-4-硝基苯酚
  2908199090-其他酚的卤化衍生物
• 💡 提示：海关信息按照顺序优先匹配，如需确认的海关信息，请参考相关资料。
• 详情请参考：📖 海关编码查询和海关进出口税则

专利信息

其他信息查阅

• ➥ 象形图和危险代码
• ➥ 防范代码详解
• ➥ 危险代码说明
• ➥ Globally Harmonized System
• ➥ REACH监管