CAS: 866323-14-0; (E)-N-Hydroxy-3-(3-(N-Phenylsulfamoyl)Phenyl)Acrylamide

• 英文名称(E)-N-Hydroxy-3-(3-(N-Phenylsulfamoyl)Phenyl)Acrylamide
• 中文名称贝利司他
• IUPAC名称(E)-N-hydroxy-3-(3-(N-phenylsulfamoyl)phenyl)acrylamide
• CAS编号866323-14-0
• MFCD编号:MFCD08064035
• EINECS号:112-468-4
• 分子式:C15H14N2O4S分子量:318.35
• 产品CID: 1869386
• 同类组份化合物CAS866323-14-0414864-00-9
• 产品分类有机原料 → 苯丙烷和聚酮 → 肉桂酸及其衍生物

• 相似结构搜索
• InChIKey: NCNRHFGMJRPRSK-MDZDMXLPSA-N
• InChI=1S/C15H14N2O4S/c18-15(16-19)10-9-12-5-4-8-14(11-12)22(20,21)17-13-6-2-1-3-7-13/h1-11,17,19H,(H,16,18)/b10-9+
• 计算化学: 氢键受体数5.0氢键供体数3.0可旋转键数5.0

物理性质

• 熔点160 °C (分解)
• 密度1.427±0.06 g/cm3(预测)
• pKa:8.27±0.10(预测)
• PSA:107.37
• LogP:4.0001
• 溶解性DMSO:64.0(Max Conc. mg/mL);201.4(Max Conc. Mm)
• 外观形态白色至淡黄色至浅橙色粉末至晶体
• 储存条件密封, 常温干燥保存
• 产品应用该化合物是HDAC的强效抑制剂,在HELA细胞提取物中,IC50为27纳米.

MSDS等安全信息

• GHS象形图
• GHS符号GHS08;
  注释: Health hazard
• 危险类别Muta. 1B
  生殖毒性 类别2
  特定目标器官毒性-重复接触 类别2
• 警示词Danger(危险)
• 危险描述H340 |可能导致遗传缺陷.
  H361f |怀疑会影响生育能力.
  H373 |长期或反复接触可能损害器官.
• 防范说明P201-P202-P260-P280-P308+P313-P405
• 安全声明H303 may be harmful by ingestion +h313 may be harmful by skin contact +h1106 may be harmful by inhalation

欧盟法规

上下游产品

合成工艺路线路线简述

• 866323-86-6 = 866323-14-0
  反应条件:1.1 Reagents: Zinc Oxide (Zno) Solvents: Ethanaminium,2-Hydroxy-N,N,N-Trimethyl-,Chloride (1:1),Mixt. With 1,2,3-Propa...; 10 Min,25 °C1.2 Reagents: Hydroxylamine Solvents: Water; 25 °C; 12 - 36 H,25 °C1.3 Reagents: Oxalic Acid Solvents: Ethanol; 2 H,Rt
  标题:A Base-Free Hydroxylaminolysis Protocol Promoted By Zno In Deep Eutectic Solvents
  作者:Liang,Xinjie; Et Al
  参考文献:Green Chemistry 日期:2023 卷标:25(6) 页码:2446-2452]
  
  163487-10-3 = 866323-14-0
  反应条件:1.1 Reagents: Sodium Nitrite,Hydrochloric Acid Solvents: Acetic Acid,Water; < -5 °C; 45 Min,< -5 °C1.2 Reagents: Sulfur Dioxide Catalysts: Cupric Chloride Solvents: Acetic Acid; < -5 °C1.3 Reagents: Sodium Bicarbonate Solvents: 1,4-Dioxane,Water; Rt; 10 H,Rt2.1 Reagents: Potassium Hydroxide,Hydroxyamine Hydrochloride Solvents: Ethanol; Rt2.2 1 H,0 °C2.3 Reagents: Hydrochloric Acid Solvents: Water; Neutralized
  标题:Simple And Efficient Synthesis Of Belinostat
  作者:Yang,Lei; Et Al
  参考文献:Synthetic Communications 日期:2010 卷标:40(17) 页码:2520-2524]
  
  = 866323-14-0
  反应条件:1.1 Reagents: Thionyl Chloride Catalysts: Dimethylformamide Solvents: Toluene1.2 Reagents: Pyridine; Rt2.1 Reagents: Sodium Hydroxide Solvents: Methanol; Rt2.2 Reagents: Thionyl Chloride Catalysts: 1,8-Diazabicyclo[5.4.0]Undec-7-Ene2.3 Reagents: Sodium Bicarbonate,Hydroxylamine Solvents: Water
  标题:Macrocyclization Via Remote Meta-Selective C-H Olefination Using A Practical Indolyl Template
  作者:Zhang,Pengfei; Et Al
  参考文献:Chemical Science 日期:2023 卷标:14(31) 页码:8279-8287]
  
  610801-83-7 = 866323-14-0
  反应条件:1.1 Reagents: Sodium Bicarbonate Solvents: 1,4-Dioxane,Water; 1 H,Rt2.1 Reagents: Sodium Hydroxide Solvents: Methanol,Water; Overnight,Rt2.2 Reagents: Hydrochloric Acid Solvents: Water; 30 Min,Acidified,Rt3.1 Reagents: Oxalyl Chloride Catalysts: Dimethylformamide Solvents: Dichloromethane; 1 H,Reflux3.2 Reagents: Sodium Bicarbonate,Hydroxyamine Hydrochloride Solvents: Tetrahydrofuran,Water; 10 Min,Rt3.3 Solvents: Tetrahydrofuran; 1 H,Rt
  标题:Novel Sulfonamide Derivatives As Inhibitors Of Histone Deacetylase
  作者:Finn,Paul W.; Et Al
  参考文献:Helvetica Chimica Acta 日期:2005 卷标:88(7) 页码:1630-1657]
  
  866323-86-6 = 866323-14-0
  反应条件:1.1 Reagents: Potassium Hydroxide,Hydroxyamine Hydrochloride Solvents: Ethanol; Rt1.2 1 H,0 °C1.3 Reagents: Hydrochloric Acid Solvents: Water; Neutralized
  标题:Simple And Efficient Synthesis Of Belinostat
  作者:Yang,Lei; Et Al
  参考文献:Synthetic Communications 日期:2010 卷标:40(17) 页码:2520-2524]
  
  866323-86-6 = 866323-14-0
  反应条件:1.1 Reagents: Sodium Hydroxide Solvents: Methanol; Rt1.2 Reagents: Thionyl Chloride Catalysts: 1,8-Diazabicyclo[5.4.0]Undec-7-Ene1.3 Reagents: Sodium Bicarbonate,Hydroxylamine Solvents: Water
  标题:Macrocyclization Via Remote Meta-Selective C-H Olefination Using A Practical Indolyl Template
  作者:Zhang,Pengfei; Et Al
  参考文献:Chemical Science 日期:2023 卷标:14(31) 页码:8279-8287]
  
  141-82-2 + 405058-55-1 = 866323-14-0
  反应条件:1.1 Catalysts: Piperidine Solvents: Pyridine; 110 °C -> Rt; Rt; 8.5 H,105 - 110 °C1.2 Reagents: Sodium Hydroxide Solvents: Water; Ph 9 - 10,< 20 °C1.3 Reagents: Sulfuric Acid Solvents: Water; Ph 1 - 2,< 20 °C; 30 Min,15 - 20 °C2.1 Reagents: 1,8-Diazabicyclo[5.4.0]Undec-7-Ene,Thionyl Chloride Solvents: Ethyl Acetate; 15 - 20 °C; 15 H,25 - 30 °C2.2 Reagents: Hydroxylamine Solvents: Tetrahydrofuran,Water; 2.5 H,0 - 5 °C; 6.5 H,25 - 30 °C
  标题:The Development Of An Effective Synthetic Route Of Belinostat
  作者:Bao,Xuefei; Et Al
  参考文献:Organic Process Research & Development 日期:2016 卷标:20(8) 页码:1482-1488]
  
  2894009-76-6 = 866323-14-0
  反应条件:1.1 Reagents: Potassium Carbonate Solvents: Methanol; Overnight,70 °C1.2 Reagents: Hydrochloric Acid Solvents: Water; Ph 2 - 31.3 Solvents: Dimethylformamide; Rt; Overnight,Rt1.4 Reagents: Thionyl Chloride Catalysts: Dimethylformamide Solvents: Toluene1.5 Reagents: Pyridine; Rt2.1 Reagents: Sodium Hydroxide Solvents: Methanol; Rt2.2 Reagents: Thionyl Chloride Catalysts: 1,8-Diazabicyclo[5.4.0]Undec-7-Ene2.3 Reagents: Sodium Bicarbonate,Hydroxylamine Solvents: Water
  标题:Macrocyclization Via Remote Meta-Selective C-H Olefination Using A Practical Indolyl Template
  作者:Zhang,Pengfei; Et Al
  参考文献:Chemical Science 日期:2023 卷标:14(31) 页码:8279-8287]
  
  2894009-75-5 = 866323-14-0
  反应条件:1.1 Reagents: Silver Acetate Catalysts: Acetylglycine,Palladium Diacetate Solvents: 1,1,1,3,3,3-Hexafluoro-2-Propanol; 15 Min,Rt; 0.5 H,80 °C; 80 °C -> Rt2.1 Reagents: Potassium Carbonate Solvents: Methanol; Overnight,70 °C2.2 Reagents: Hydrochloric Acid Solvents: Water; Ph 2 - 32.3 Solvents: Dimethylformamide; Rt; Overnight,Rt2.4 Reagents: Thionyl Chloride Catalysts: Dimethylformamide Solvents: Toluene2.5 Reagents: Pyridine; Rt3.1 Reagents: Sodium Hydroxide Solvents: Methanol; Rt3.2 Reagents: Thionyl Chloride Catalysts: 1,8-Diazabicyclo[5.4.0]Undec-7-Ene3.3 Reagents: Sodium Bicarbonate,Hydroxylamine Solvents: Water
  标题:Macrocyclization Via Remote Meta-Selective C-H Olefination Using A Practical Indolyl Template
  作者:Zhang,Pengfei; Et Al
  参考文献:Chemical Science 日期:2023 卷标:14(31) 页码:8279-8287

海关参考信息

• 2901210000-乙烯
  2901220000-丙烯
  2902300000-甲苯
  2902500000-苯乙烯
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• 详情请参考：📖 海关编码查询和海关进出口税则

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• ➥ 象形图和危险代码
• ➥ 防范代码详解
• ➥ 危险代码说明
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