7-[2-(Dimethylamino)-ethyl][1,4]benzodioxino[2,3-a]pyrrolo[3,4-c]-phenoxazin-6,8(7H,15H)-dion | 680992-84-1

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 苯并恶唑类
• 英文名称: 7-[2-(Dimethylamino)-ethyl][1,4]benzodioxino[2,3-a]pyrrolo[3,4-c]-phenoxazin-6,8(7H,15H)-dion
• 英文别名: 7-[2-(dimethylamino)ethyl][1,4]benzodioxino[2,3-a]pyrrolo[3,4-c]phenoxazine-6,8(7H,15H)-dione；14-[2-(Dimethylamino)ethyl]-3,10,18-trioxa-14,25-diazahexacyclo[15.8.0.02,11.04,9.012,16.019,24]pentacosa-1(17),2(11),4,6,8,12(16),19,21,23-nonaene-13,15-dione
• CAS: 680992-84-1
• 化学式: C₂₄H₁₉N₃O₅
• 分子量: 429.432
• InChiKey: CAEGJGHPQKMXIO-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.2
• 重原子数：
  32
• 可旋转键数：
  3
• 环数：
  6.0
• sp3杂化的碳原子比例：
  0.17
• 拓扑面积：
  80.3
• 氢给体数：
  1
• 氢受体数：
  7

反应信息

• 作为产物：
  描述：

  在 溶剂黄146 作用下， 反应 7.0h， 以81%的产率得到7-[2-(Dimethylamino)-ethyl][1,4]benzodioxino[2,3-a]pyrrolo[3,4-c]-phenoxazin-6,8(7H,15H)-dion
  参考文献：
  名称：

  Benzoxazine and Benzodioxine as Indole Isosteres in Indolocarbazoles Series: Synthesis and Biological Evaluation

  摘要：

  New series of structure based on original benzodioxine and benzoxazine heterocycles were prepared leading to potential anticancer lead compounds. In this paper, we described a convenient approach via a Diels-Alder cycloaddition in order to efficiently provide three new indole isosteres in indolocarbazoles series. Their first cytotoxic evaluation was also reported.

  DOI：

  10.2174/157017810790796291

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.

  式(I)的化合物：其中：A如描述中定义，Y代表从氧原子和亚甲基组中选择的一个基团，R2代表氢原子，此时：R3代表从氢原子和线性或支链的(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代表从氢原子和线性或支链的(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）或线性或支链的(C1-C6)烷基链中选择的一个基团，Z1和Z2各自代表氢原子或Z1和Z2与携带它们的碳原子一起形成苯基。药物。
• NOUVEAUX DERIVES DE 1,4 BENZODIOXINO 2,3-e ISOINDOLE SUBSTITUES, LEUR PROCEDE DE PREPARATION ET LES COMPOSITIONS PHARMACEUTIQUES QUI LES CONTIENNENT
  申请人：Les Laboratoires Servier

  公开号：EP1587810B1

  公开（公告）日：2006-11-08
• US7202255B2
  申请人：——

  公开号：US7202255B2

  公开（公告）日：2007-04-10