tert-Butyl 7-methyl-6,8-dioxo-7,8-dihydro[1,4]benzodioxino[2,3-a]-pyrrolo[3,4-c]carbazole-13(6H)-carboxylate | 680992-88-5

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吲哚及其衍生物
• 英文名称: tert-Butyl 7-methyl-6,8-dioxo-7,8-dihydro[1,4]benzodioxino[2,3-a]-pyrrolo[3,4-c]carbazole-13(6H)-carboxylate
• 英文别名: tert-butyl 13-methyl-12,14-dioxo-17,24-dioxa-3,13-diazahexacyclo[14.8.0.02,10.04,9.011,15.018,23]tetracosa-1,4,6,8,10,15,18,20,22-nonaene-3-carboxylate
• CAS: 680992-88-5
• 化学式: C₂₆H₂₀N₂O₆
• 分子量: 456.455
• InChiKey: GKMHONHDUSSXOK-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.7
• 重原子数：
  34
• 可旋转键数：
  2
• 环数：
  6.0
• sp3杂化的碳原子比例：
  0.19
• 拓扑面积：
  87.1
• 氢给体数：
  0
• 氢受体数：
  6

反应信息

• 作为产物：
  描述：

  tert-butyl 3-[4-(1,4-benzodioxin-2-yl)-1-methyl-2,5-dioxo-2,5-dihydro-1H-pyrrol-3-yl]-1H-indole-1-carboxylate 、 碘 在 disodium;dioxido-oxo-sulfanylidene-λ6-sulfane 、 乙酸乙酯 、 甲醇 作用下， 以 甲苯 、 乙酸乙酯 为溶剂， 反应 0.5h， 生成 tert-Butyl 7-methyl-6,8-dioxo-7,8-dihydro[1,4]benzodioxino[2,3-a]-pyrrolo[3,4-c]carbazole-13(6H)-carboxylate
  参考文献：
  名称：

  Novel substituted [1,4] benzodioxino[2,3-e] isoindole derivatives, method for preparing and pharmaceutical compositions containing same

  摘要：

  化合物的式子（I）： 其中：A的定义如描述中所述，Y代表从氧原子和亚甲基基团中选择的一个基团，R2代表氢原子，在这种情况下：R3代表从氢原子和线性或支链（C1-C6）烷基，芳基，芳基-（C1-C6）烷基（其中烷基基团是线性或支链）和SO2CF3中选择的一个基团，或者R2和R3形成键，R1代表从氢原子和线性或支链（C1-C6）烷基，芳基和芳基-（C1-C6）烷基（其中烷基基团是线性或支链）或线性或支链（C1-C6）烷基链中选择的一个基团，Z1和Z2分别代表氢原子或Z1和Z2连同携带它们的碳原子形成苯基团。药物。

  公开号：

  US20060040930A1

文献信息

• Novel substituted [1,4] benzodioxino[2,3-e] isoindole derivatives, method for preparing and pharmaceutical compositions containing same
  申请人：Coudert Gerard

  公开号：US20060040930A1

  公开（公告）日：2006-02-23

  Compounds of formula (I): wherein: A is as defined in the description, Y represents a group selected from an oxygen atom and a methylene group, R 2 represents a hydrogen atom and in that case: R 3 represents a group selected from a hydrogen atom and the groups linear or branched (C 1 -C 6 )alkyl, aryl, aryl-(C 1 -C 6 )alkyl (in which the alkyl moiety is linear or branched) and SO 2 CF 3 , or R 2 and R 3 form a bond, R 1 represents a group selected from a hydrogen atom and the groups linear or branched (C 1 -C 6 )alkyl, aryl and aryl-(C 1 -C 6 )alkyl (in which the alkyl moiety is linear or branched) or a linear or branched (C 1 -C 6 )alkylene chain, Z 1 and Z 2 each represent a hydrogen atom or Z 1 and Z 2 , together with the carbon atoms carrying them, form a phenyl group. Medicaments.

  化合物的式子（I）： 其中：A的定义如描述中所述，Y代表从氧原子和亚甲基基团中选择的一个基团，R2代表氢原子，在这种情况下：R3代表从氢原子和线性或支链（C1-C6）烷基，芳基，芳基-（C1-C6）烷基（其中烷基基团是线性或支链）和SO2CF3中选择的一个基团，或者R2和R3形成键，R1代表从氢原子和线性或支链（C1-C6）烷基，芳基和芳基-（C1-C6）烷基（其中烷基基团是线性或支链）或线性或支链（C1-C6）烷基链中选择的一个基团，Z1和Z2分别代表氢原子或Z1和Z2连同携带它们的碳原子形成苯基团。药物。
• Synthesis and biological evaluation of novel benzodioxinocarbazoles (BDCZs) as potential anticancer agents
  作者：Nathalie Ayerbe、Sylvain Routier、Isabelle Gillaizeau、Carmen Maiereanu、Daniel-Henry Caignard、Alain Pierré、Stéphane Léonce、Gérard Coudert

  DOI：10.1016/j.bmcl.2010.05.088

  日期：2010.8

  We report the efficient synthesis and biological evaluation of new benzodioxinoindolocarbazoles heterocycles (BDCZs) designed as potential anticancer agents. Indolic substitution and maleimide variations were performed to design a new library of BDCZs and their cytotoxicity were evaluated on two representative cancer cell lines. Several derivatives have shown a marked cytotoxicity with IC50 values in the nanomolar range. Results are reported in this Letter. (C) 2010 Elsevier Ltd. All rights reserved.
• Substituted [1,4] benzodioxino[2,3-e] isoindole derivatives, method for preparing and pharmaceutical compositions containing same
  申请人：Les Laboratoires Servier

  公开号：US07202255B2

  公开（公告）日：2007-04-10

  Compounds of formula (I): wherein: A is as defined in the description, Y represents a group selected from an oxygen atom and a methylene group, R2 represents a hydrogen atom and in that case: R3 represents a group selected from a hydrogen atom and the groups linear or branched (C1–C6)alkyl, aryl, aryl-(C1–C6)alkyl (in which the alkyl moiety is linear or branched) and SO2CF3, or R2 and R3 form a bond, R1 represents a group selected from a hydrogen atom and the groups linear or branched (C1–C6)alkyl, aryl and aryl-(C1–C6)alkyl (in which the alkyl moiety is linear or branched) or a linear or branched (C1–C6)alkylene chain, Z1 and Z2 each represent a hydrogen atom or Z1 and Z2, together with the carbon atoms carrying them, form a phenyl group. Medicaments.

  化学式为(I)的化合物，其中：A在描述中定义，Y表示从氧原子和亚甲基基团中选择的一个基团，R2表示氢原子，此时：R3表示从氢原子和线性或支链(C1-C6)烷基，芳基，芳基-(C1-C6)烷基（其中烷基基团是线性或支链的）和SO2CF3中选择的一个基团，或者R2和R3形成键，R1表示从氢原子和线性或支链(C1-C6)烷基，芳基和芳基-(C1-C6)烷基（其中烷基基团是线性或支链的）或线性或支链(C1-C6)烷基链中选择的一个基团，Z1和Z2分别表示氢原子或Z1和Z2与携带它们的碳原子一起形成苯基。药物。