1,2,3,4,4a,6,7,8,9,9a,10,10a-Dodecahydropyrido[3,4-b]indolizine

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吲哚里西啶
• 英文名称: 1,2,3,4,4a,6,7,8,9,9a,10,10a-Dodecahydropyrido[3,4-b]indolizine
• 英文别名: 1,2,3,4,4a,6,7,8,9,9a,10,10a-dodecahydropyrido[3,4-b]indolizine
• 化学式: C₁₁H₂₀N₂
• 分子量: 180.293
• InChiKey: SPAMHWOJMNHZTP-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.3
• 重原子数：
  13
• 可旋转键数：
  0
• 环数：
  3.0
• sp3杂化的碳原子比例：
  1.0
• 拓扑面积：
  15.3
• 氢给体数：
  1
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  3-溴苯甲酰氯 、 1,2,3,4,4a,6,7,8,9,9a,10,10a-Dodecahydropyrido[3,4-b]indolizine 在 三乙胺 作用下， 以 二氯甲烷 为溶剂， 反应 2.0h， 以98%的产率得到(3-bromophenyl)(decahydropyrido[3,4-b]indolizin-2(3H)-yl)methanone
  参考文献：
  名称：

  一组独特的受约束的含胺化合物的设计，合成和蛋白质甲基转移酶活性

  摘要：

  表观遗传学改变与各种人类疾病有关，开发中的Kme调节蛋白抑制剂被认为是药物发现的新领域。我们受到了已知的多环配体UNC669和UNC926的启发，它们是第一个报道的甲基赖氨酸结合域的小分子配体。我们假设降低UNC669关键胺部分的构象柔性将产生一组独特的配体。设计并合成了二十五个含有稠合双环或三环胺或螺环胺的新型化合物。为了评估这些含胺化合物与Kme调节蛋白相互作用的潜力，针对一组24种蛋白质甲基转移酶筛选了这些化合物。已发现化合物13是与SETD8相互作用的新型支架，可作为PKMT抑制剂未来开发的起点。

  DOI：

  10.1016/j.bmcl.2016.08.004

文献信息

• TETRACYCLINE COMPOUNDS
  申请人：Tetraphase Pharmaceuticals, Inc.

  公开号：EP3461809A1

  公开（公告）日：2019-04-03

  The present invention is directed to a compound represented by Structural Formula (I): or a pharmaceutically acceptable salt thereof. The variables for Structural Formula (I) are defined herein. Also described is a pharmaceutical composition comprising the compound of Structural Formula (I), or a pharmaceutically acceptable salt thereof, and its therapeutic use.

  本发明涉及一种由结构式（I）表示的化合物： 或其药学上可接受的盐。结构式（I）的变量在此定义。还描述了一种包含结构式（I）化合物或其药学上可接受的盐的药物组合物及其治疗用途。
• Tetracyline compounds
  申请人：Tetraphase Pharmaceuticals, Inc.

  公开号：US10315992B2

  公开（公告）日：2019-06-11

  The present invention is directed to a compound represented by Structural Formula (I): or a pharmaceutically acceptable salt thereof. The variables for Structural Formula (I) are defined herein. Also described is a pharmaceutical composition comprising the compound of Structural Formula (I), or a pharmaceutically acceptable salt thereof, and its therapeutic use.

  本发明涉及一种由结构式（I）表示的化合物： 或其药学上可接受的盐。结构式（I）的变量在此定义。还描述了一种包含结构式（I）化合物或其药学上可接受的盐的药物组合物及其治疗用途。
• Tetracycline compounds
  申请人：Tetraphase Pharmaceuticals, Inc.

  公开号：US10913712B2

  公开（公告）日：2021-02-09

  The present invention is directed to a compound represented by Structural Formula (I): or a pharmaceutically acceptable salt thereof. The variables for Structural Formula (I) are defined herein. Also described is a pharmaceutical composition comprising the compound of Structural Formula (I), or a pharmaceutically acceptable salt thereof, and its therapeutic use.

  本发明涉及一种由结构式（I）表示的化合物： 或其药学上可接受的盐。结构式（I）的变量在此定义。还描述了一种包含结构式（I）化合物或其药学上可接受的盐的药物组合物及其治疗用途。
• Tetracycline Compounds
  申请人：Tetraphase Pharmaceuticals, Inc.

  公开号：US20160107988A1

  公开（公告）日：2016-04-21

  The present invention is directed to a compound represented by Structural Formula (I): or a pharmaceutically acceptable salt thereof. The variables for Structural Formula (I) are defined herein. Also described is a pharmaceutical composition comprising the compound of Structural Formula (I), or a pharmaceutically acceptable salt thereof, and its therapeutic use.
• Tetracyline Compounds
  申请人：Tetraphase Pharmaceuticals, Inc.

  公开号：US20170305852A1

  公开（公告）日：2017-10-26

  The present invention is directed to a compound represented by Structural Formula (I): or a pharmaceutically acceptable salt thereof. The variables for Structural Formula (I) are defined herein. Also described is a pharmaceutical composition comprising the compound of Structural Formula (I), or a pharmaceutically acceptable salt thereof, and its therapeutic use.