pyrrolo[3,4-c]carbazole-1,3(2H,6H)-dione

• 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: pyrrolo[3,4-c]carbazole-1,3(2H,6H)-dione
• 英文别名: 6H-pyrrolo[3,4-c]carbazol-1,3-dione；1,2,3,6-tetrahydro-1,3-dioxo-pyrrolo[3,4-c]carbazole；6H-pyrrolo[3,4-c]carbazole-1,3-dione
• 化学式: C₁₄H₈N₂O₂
• 分子量: 236.23
• InChiKey: AGFYXNWRDSDSRA-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.2
• 重原子数：
  18
• 可旋转键数：
  0
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  62
• 氢给体数：
  2
• 氢受体数：
  2

反应信息

• 作为产物：
  描述：

  2-甲羟基吲哚 在 manganese(IV) oxide 、 正丁基锂 、 2,3-二氯-5,6-二氰基-1,4-苯醌 作用下， 以 四氢呋喃 、 二甲基亚砜 、 乙腈 为溶剂， 反应 9.5h， 生成 pyrrolo[3,4-c]carbazole-1,3(2H,6H)-dione
  参考文献：
  名称：

  Synthesis of pyrrolocarbazoles with N-substituted alkynyl-, alkylcyano- and alkylhydroxyl-groups

  摘要：

  DOI：

  10.24820/ark.5550190.p011.412

文献信息

• [EN] INHIBITORS OF CHECKPOINT KINASES (WEE1 AND CHK1)<br/>[FR] INHIBITEURS DE CHECKPOINT KINASES (WEE1 ET CHK1)
  申请人：WARNER LAMBERT CO

  公开号：WO2003091255A1

  公开（公告）日：2003-11-06

  This invention relates to pyrrolocarbazole derivatives according formula (I) wherein R1, R2, r7, R8 R9, X and Y are as defined in the specification wherein said derivatives specifically inhibit one or both of the checkpoint kinases Wee1 and Chk1.

  本发明涉及公式（I）中的吡咯并咔唑衍生物，其中R1，R2，r7，R8，R9，X和Y如规范中所定义，其中所述衍生物特异性地抑制检查点激酶Wee1和Chk1中的一个或两个。
• 1-Amino-2-cyclohexene derivatives and production process therefor
  申请人：KURARAY CO., LTD.

  公开号：EP0690054A1

  公开（公告）日：1996-01-03

  1-amino-2-cyclohexene derivative represented by the following general formula (I): where A represents a bivalent organic group which may contain 1 to 3 oxygen atoms, nitrogen atoms and/or sulfur atoms, in which A may form a 5-membered ring, 6-membered ring, 7-membered ring or 8-membered ring together with two carbon atoms to be bonded, and the ring may form a condensed ring with one or plurality of other rings; R¹ represents a hydrogen atom, an alkyl group, an alkenyl group, an aryl group or an aralkyl group, R² represents a hydrogen atom, an alkyl group, an alkenyl group, an aryl group, an aralkyl group, a cyano group or a group represented by the formula: -COR²¹, R²¹ represents a hydrogen atom, an alkyl group, an alkenyl group, an aryl group, an aralkyl group, an alkoxyl group, an alkenyloxyl group, an aryloxyl group, an aralkyloxyl group or an amino group which may have a substituent, R³ represents a cyano group, a nitro group or a group represented by the formula: -COR³¹, R³¹ represents a hydrogen atom, an alkyl group, an alkenyl group, an aryl group, an aralkyl group, an alkoxyl group, an alkenyloxyl group, an aryloxyl group, an aralkyloxyl group or an amino group which may have a substituent, R⁴ represents an alkyl group, an alkenyl group, an aryl group or an aralkyl group, R⁵ represents a hydrogen atom, an alkyl group, an alkenyl group, an aryl group, an aralkyl group, an alkoxyl group, an alkenyloxyl group, an aryloxyl group, an aralkyloxyl group or an amino group which may have a substituent, in which R² and R³¹ may join together to form a bivalent organic group possibly containing an oxygen atom or a nitrogen atom.

  由以下通式 (I) 代表的 1-氨基-2-环己烯衍生物： 其中 A 代表二价有机基团，可含有 1 至 3 个氧原子、氮原子和/或硫原子，其中 A 可与两个待键合的碳原子形成 5 元环、6 元环、7 元环或 8 元环，该环可与一个或多个其他环形成缩合环；R¹ 代表氢原子、烷基、烯基、芳基或芳烷基，R² 代表氢原子、烷基、烯基、芳基、芳烷基、氰基或由式表示的基团：-R²¹代表氢原子、烷基、烯基、芳基、芳烷基、烷氧基、烯酰氧基、芳酰氧基、芳烷氧基或可带有取代基的氨基，R³代表氰基、硝基或由式表示的基团：-R³¹代表氢原子、烷基、烯基、芳基、芳烷基、烷氧基、烯酰氧基、芳酰氧基、芳烷氧基或可带有取代基的氨基，R⁴代表烷基、烯基、芳基或芳烷基，R⁵代表氢原子、烷基、烯基、芳基、芳烷基、烷氧基、烯酰氧基、芳酰氧基、芳烷氧基或可能具有取代基的氨基，其中 R² 和 R³¹ 可连接在一起形成可能含有氧原子或氮原子的二价有机基团。
• CYCLIC IMIDE-SUBSTITUTED PYRIDYLALKANE, ALKENE, AND ALKINE CARBOXAMIDES USEFUL AS CYTOSTATIC AND IMMUNOSUPPRESSIVE AGENTS
  申请人：Klinge Pharma GmbH

  公开号：EP1042315B1

  公开（公告）日：2004-04-14
• Synthesis and structure–activity relationships of novel poly(ADP-ribose) polymerase-1 inhibitors
  作者：Ming Tao、Chung Ho Park、Ron Bihovsky、Gregory J. Wells、Jean Husten、Mark A. Ator、Robert L. Hudkins

  DOI：10.1016/j.bmcl.2005.10.099

  日期：2006.2

  A series of novel pyrrolocarbazoles was synthesized as potential PARP-1 inhibitors. Pyrrolocarbazole 1 was identified as a potent PARP-I inhibitor (IC50 = 36 nM) from our internal database. Synthesis of analogs around this template with the aid of modeling studies led to the identification of the truncated imide 14. Compound 14 (IC50 = 40 nM), with deleted B-ring, was found to be an equipotent PARP-1 inhibitor. (c) 2005 Elsevier Ltd. All rights reserved.
• INHIBITORS OF CHECKPOINT KINASES (WEE1 AND CHK1)
  申请人：WARNER-LAMBERT COMPANY LLC

  公开号：EP1501831A1

  公开（公告）日：2005-02-02