CAS: 91421-42-0; (S)-4-Ethyl-4-Hydroxy-10-Nitro-1H-Pyrano[3',4':6,7]Indolizino[1,2-B]Quinoline-3,14(4H,12H)-Dione

• 英文名称(S)-4-Ethyl-4-Hydroxy-10-Nitro-1H-Pyrano[3',4':6,7]Indolizino[1,2-B]Quinoline-3,14(4H,12H)-Dione
• 中文名称鲁比替康
• IUPAC名称(S)-4-ethyl-4-hydroxy-10-nitro-1,12-dihydro-14H-pyrano[3',4':6,7]indolizino[1,2-b]quinoline-3,14(4H)-dione
• 其它别名(4S)-4-Ethyl-4-hydroxy-10-nitro-1H-pyrano[3',4'6,7]indolizino[1,2-b]quinoline-3,14(4H,12H)-dione; 9-Nitro-20(S)-camptothecin; 9-Nitr°Camptothecin; Orathecin
• CAS编号91421-42-0
• MFCD编号:MFCD06656294
• EINECS号:995-853-7
• 分子式:C20H15N3O6
• 分子量:393.36
• 产品CID: 1950010
• 产品分类原料药 → 抗肿瘤药 → 天然来源类抗肿瘤药

• 相似结构搜索
• InChIKey: VHXNKPBCCMUMSW-FQEVSTJZSA-N
• InChI=1S/C20H15N3O6/c1-2-20(26)13-7-16-17-10(8-22(16)18(24)12(13)9-29-19(20)25)6-11-14(21-17)4-3-5-15(11)23(27)28/h3-7,26H,2,8-9H2,1H3/t20-/…
• 计算化学: 氢键受体数7.0氢键供体数1.0可旋转键数1.0

物理性质

• 熔点182-186°C
• 沸点816.3±65.0 °C(预测)
• 闪点106°C
• 密度1.63
• PH:D23 +27° (c = 0.2 in CH3OH-CHCl3, 1:4)
• pKa:11.16±0.20(预测)
• PSA:127.24
• LogP:2.511
• 折射率1.761
• 蒸汽压3.53E-28 mmHg at 25 °C
• 溶解性DMSO, Chloroform, Methanol
• 外观形态黄色固体
• 储存条件密封, 常温干燥保存
• 产品应用该化合物是一种半合成剂,与具有强效抗菌素和抗病毒特性的植入催眠霉素有关. RUBITERCAN与酶TOPO异构体酶I结合并抑制,诱发蛋白质相关DNA单层断裂,从而阻断了分解细胞中的DNA和RNA合成;该剂还阻止修复可逆的单层和DNA断裂.
• 性质描述黄色结晶性粉末.

MSDS等安全信息

• GHS象形图
• GHS符号GHS08 & GHS07;
  注释: Health hazard & Exclamation mark
• 危险类别致癌性 类别1B
  Muta. 1B
  急性毒性 类别4(经口)
  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H350 |可能致癌.
  H340 |可能导致遗传缺陷.
  H302 |吞咽有害.
  H373 |长期或反复接触可能损害器官.
• 防范说明P264-P270-P301+P310+P330-P405-P501-
• UN编号1544
• 安全声明24/25
• WGK Germany3

欧盟法规

上下游产品

合成工艺路线路线简述

• 172917-97-4 = 91421-42-0
  反应条件:1.1 Reagents: Formic Acid,Triethylamine Catalysts: Palladium Diacetate,1,1-Bis(Diphenylphosphino)Ferrocene Solvents: 1,4-Dioxane; 1.5 H,70 °C
  标题:A Practical Regiospecific Synthesis Of 9-Nitrocamptothecin
  作者:Fu,Qingquan; Et Al
  参考文献:Synthesis 日期:2006 卷标:(12) 页码:1940-1942]
  
  164159-93-7 = 91421-42-0
  反应条件:1.1 Reagents: Formic Acid,Triethylamine Catalysts: Palladium Diacetate,1,1-Bis(Diphenylphosphino)Ferrocene Solvents: 1,4-Dioxane; 1.5 H,70 °C
  标题:A Practical Regiospecific Synthesis Of 9-Nitrocamptothecin
  作者:Fu,Qingquan; Et Al
  参考文献:Synthesis 日期:2006 卷标:(12) 页码:1940-1942]
  
  349-88-2 + 104267-73-4 = 91421-42-0
  反应条件:1.1 Reagents: Triethylamine,4-(Dimethylamino)Pyridine Solvents: Dichloromethane; Rt; 12 H,Rt1.2 Reagents: Water2.1 Reagents: Formic Acid,Triethylamine Catalysts: Palladium Diacetate,1,1-Bis(Diphenylphosphino)Ferrocene Solvents: 1,4-Dioxane; 1.5 H,70 °C
  标题:A Practical Regiospecific Synthesis Of 9-Nitrocamptothecin
  作者:Fu,Qingquan; Et Al
  参考文献:Synthesis 日期:2006 卷标:(12) 页码:1940-1942]
  
  164159-99-3 = 91421-42-0
  反应条件:1.1 Reagents: Formic Acid,Triethylamine Catalysts: Palladium Diacetate,1,1-Bis(Diphenylphosphino)Ferrocene Solvents: 1,4-Dioxane; 1.5 H,70 °C
  标题:A Practical Regiospecific Synthesis Of 9-Nitrocamptothecin
  作者:Fu,Qingquan; Et Al
  参考文献:Synthesis 日期:2006 卷标:(12) 页码:1940-1942]
  
  172917-95-2 = 91421-42-0
  反应条件:1.1 Reagents: Formic Acid,Triethylamine Catalysts: Palladium Diacetate,1,1-Bis(Diphenylphosphino)Ferrocene Solvents: 1,4-Dioxane; 1.5 H,70 °C
  标题:A Practical Regiospecific Synthesis Of 9-Nitrocamptothecin
  作者:Fu,Qingquan; Et Al
  参考文献:Synthesis 日期:2006 卷标:(12) 页码:1940-1942]
  
  172917-96-3 = 91421-42-0
  反应条件:1.1 Reagents: Formic Acid,Triethylamine Catalysts: Palladium Diacetate,1,1-Bis(Diphenylphosphino)Ferrocene Solvents: 1,4-Dioxane; 1.5 H,70 °C
  标题:A Practical Regiospecific Synthesis Of 9-Nitrocamptothecin
  作者:Fu,Qingquan; Et Al
  参考文献:Synthesis 日期:2006 卷标:(12) 页码:1940-1942]
  
  172917-94-1 = 91421-42-0
  反应条件:1.1 Reagents: Formic Acid,Triethylamine Catalysts: Palladium Diacetate,1,1-Bis(Diphenylphosphino)Ferrocene Solvents: 1,4-Dioxane; 1.5 H,70 °C
  标题:A Practical Regiospecific Synthesis Of 9-Nitrocamptothecin
  作者:Fu,Qingquan; Et Al
  参考文献:Synthesis 日期:2006 卷标:(12) 页码:1940-1942]
  
  164159-91-5 = 91421-42-0
  反应条件:1.1 Reagents: Formic Acid,Triethylamine Catalysts: Palladium Diacetate,1,1-Bis(Diphenylphosphino)Ferrocene Solvents: 1,4-Dioxane; 1.5 H,70 °C
  标题:A Practical Regiospecific Synthesis Of 9-Nitrocamptothecin
  作者:Fu,Qingquan; Et Al
  参考文献:Synthesis 日期:2006 卷标:(12) 页码:1940-1942]
  
  = 91421-42-0
  反应条件:1.1 Reagents: Hydrogen Ion
  标题:Ph-Gradient Incorporation Of 9-Nitrocamptothecin In Pegylated Liposomes: Formulation Properties And Efficacy In Vitro And In Vivo
  作者:Chang,Shuang; Et Al
  参考文献:Pharmaceutical Nanotechnology 日期:2013 卷标:1(2) 页码:115-125]
  
  104267-73-4 = 91421-42-0
  反应条件:1.1 Reagents: Triethylamine,4-(Dimethylamino)Pyridine Solvents: Dichloromethane; Rt; 12 H,Rt1.2 Reagents: Water2.1 Reagents: Formic Acid,Triethylamine Catalysts: Palladium Diacetate,1,1-Bis(Diphenylphosphino)Ferrocene Solvents: 1,4-Dioxane; 1.5 H,70 °C
  标题:A Practical Regiospecific Synthesis Of 9-Nitrocamptothecin
  作者:Fu,Qingquan; Et Al
  参考文献:Synthesis 日期:2006 卷标:(12) 页码:1940-1942]
  
  85-46-1 + 104267-73-4 = 91421-42-0
  反应条件:1.1 Reagents: Triethylamine,4-(Dimethylamino)Pyridine Solvents: Dichloromethane; Rt; 12 H,Rt1.2 Reagents: Water2.1 Reagents: Formic Acid,Triethylamine Catalysts: Palladium Diacetate,1,1-Bis(Diphenylphosphino)Ferrocene Solvents: 1,4-Dioxane; 1.5 H,70 °C
  标题:A Practical Regiospecific Synthesis Of 9-Nitrocamptothecin
  作者:Fu,Qingquan; Et Al
  参考文献:Synthesis 日期:2006 卷标:(12) 页码:1940-1942]
  
  104267-73-4 = 91421-42-0
  反应条件:1.1 Reagents: Triethylamine,4-(Dimethylamino)Pyridine Solvents: Dichloromethane; Rt; 12 H,Rt1.2 Reagents: Water2.1 Reagents: Formic Acid,Triethylamine Catalysts: Palladium Diacetate,1,1-Bis(Diphenylphosphino)Ferrocene Solvents: 1,4-Dioxane; 1.5 H,70 °C
  标题:A Practical Regiospecific Synthesis Of 9-Nitrocamptothecin
  作者:Fu,Qingquan; Et Al
  参考文献:Synthesis 日期:2006 卷标:(12) 页码:1940-1942

海关参考信息

• 2905122000-异丙醇
  2905310000-1,2-乙二醇
  2905320000-1,2-丙二醇
  2912110000-甲醛
• 💡 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

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