3-(imidazo[1,2-a]pyridin-3-yl)-4-(1,2,3,4-tetrahydro-[1,4]diazepino[6,7,1-hi]indol-7-yl)-1H-pyrrole-2,5-dione | 603310-08-3

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 苯二氮卓类
• 英文名称: 3-(imidazo[1,2-a]pyridin-3-yl)-4-(1,2,3,4-tetrahydro-[1,4]diazepino[6,7,1-hi]indol-7-yl)-1H-pyrrole-2,5-dione
• 英文别名: 3-imidazolo[1,2-a]pyridin-3-yl-4-(1,2,3,4-tetrahydro-[1,4]diazepino-[6,7,1-hi]indol-7-yl)pyrrole-2,5-dione；3-Imidazo[1,2-a]pyridin-3-yl-4-(1,2,3,4-tetrahydro-[1,4]diazepino-[6,7,1-hi]indol-7-yl)pyrrole-2,5-dione；3-Imidazo[1,2-a]pyridin-3-yl-4-(1,2,3,4-tetrahydropyrrolo[3,2,1-jk][1,4]benzodiazepin-7-yl)-1H-pyrrole-2,5-dione；3-(1,10-diazatricyclo[6.4.1.04,13]trideca-2,4,6,8(13)-tetraen-3-yl)-4-imidazo[1,2-a]pyridin-3-ylpyrrole-2,5-dione
• CAS: 603310-08-3
• 化学式: C₂₂H₁₇N₅O₂
• 分子量: 383.409
• InChiKey: KQMHAQZHLWKKPG-UHFFFAOYSA-N

物化性质

• 密度：
  1.56±0.1 g/cm3(Temp: 20 °C; Press: 760 Torr)(predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  1.6
• 重原子数：
  29
• 可旋转键数：
  2
• 环数：
  6.0
• sp3杂化的碳原子比例：
  0.14
• 拓扑面积：
  80.4
• 氢给体数：
  2
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  甲基乙酰亚胺酯盐酸盐 、 3-(imidazo[1,2-a]pyridin-3-yl)-4-(1,2,3,4-tetrahydro-[1,4]diazepino[6,7,1-hi]indol-7-yl)-1H-pyrrole-2,5-dione 在 potassium carbonate 作用下， 以 DMF (N,N-dimethyl-formamide) 为溶剂， 以14%的产率得到
  参考文献：
  名称：

  [EN] PURINE DERIVATIVES AS KINASE INHIBITORS
  [FR] DERIVES DE LA PURINE EN TANT QU'INHIBITEURS DE LA KINASE

  摘要：

  本发明提供了化合物I的激酶抑制剂。

  公开号：

  WO2003076442A1
• 作为产物：
  描述：

  (6-(tert-butoxycarbonyl)-5,6-dihydro-6H-[1,4]diazepino[6,7,1-hi]indol-1-yl)oxoacetic acid methyl ester 在 盐酸 、 potassium tert-butylate 、 乙硫醇 作用下， 以 1,4-二氧六环 、 N,N-二甲基甲酰胺 为溶剂， 生成 3-(imidazo[1,2-a]pyridin-3-yl)-4-(1,2,3,4-tetrahydro-[1,4]diazepino[6,7,1-hi]indol-7-yl)-1H-pyrrole-2,5-dione
  参考文献：
  名称：

  The development of potent and selective bisarylmaleimide GSK3 inhibitors

  摘要：

  Many 3-aryl-4-(1,2,3,4-tetrahydro[1,4]diazepino[6,7,1-hi]indol-7-yl)maleimides exhibit potent GSK3 inhibitory activity (<100 nM IC50), although few show significant selectivity (>100x) versus CDK2, CDK4, or PKCbetaII. However, combining 3-(imidazo[1,2-a]pyridin-3-yl), 3-(pyrazolo[1,5-a]pyridin-3-yl) or aza-analogs with a 4-(2-acyl-(1,2,3,4-tetrahydro[1,4]diazepino[6,7,1-hi]indol-7-yl)) group on the maleimide resulted in very potent inhibitors of GSK3 (less than or equal to5 nM) with >160 to >10,000-fold selectivity versus CDK2/4 and PKCbetaII, These compounds also inhibited tau phosphorylation in cells and were effective in lowering plasma glucose in a rat model of type 2 diabetes (ZDF rat). (C) 2005 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2004.12.063

文献信息

• Solubilized compositions for controlled proliferation of stem cells / generating inner ear hair cells using GSK3 inhibitors: III
  申请人：Frequency Therapeutics, Inc.

  公开号：US10016507B2

  公开（公告）日：2018-07-10

  The present invention relates to compositions and methods of inducing the self-renewal of stem/progenitor supporting cells, including inducing the stem/progenitor cells to proliferate while maintaining, in the daughter cells, the capacity to differentiate into hair cells.

  本发明涉及诱导干/祖支持细胞自我更新的组合物和方法，包括诱导干/祖细胞增殖，同时保持子细胞分化成毛细胞的能力。
• Thermoreversible compositions for administration of therapeutic agents
  申请人：Frequency Therapeutics, Inc.

  公开号：US11160868B2

  公开（公告）日：2021-11-02

  The present invention relates to compositions and methods of inducing the self-renewal of stem/progenitor supporting cells, including inducing the stem/progenitor cells to proliferate while maintaining, in the daughter cells, the capacity to differentiate into hair cells.

  本发明涉及诱导干/祖支持细胞自我更新的组合物和方法，包括诱导干/祖细胞增殖，同时保持子细胞分化成毛细胞的能力。
• Compositions and methods for generating hair cells by upregulating JAG-1
  申请人：Frequency Therapeutics, Inc.

  公开号：US11162071B2

  公开（公告）日：2021-11-02

  Provided are compositions and methods comprising Jag-1 agonists for increasing proliferation of cochlear supporting cells or vestibular supporting cells, and related methods of treating hearing or balance disorders.

  本文提供了包含 Jag-1 激动剂的组合物和方法，用于增加耳蜗支持细胞或前庭支持细胞的增殖，以及治疗听力或平衡失调的相关方法。
• COMPOSITIONS AND METHODS FOR GENERATING HAIR CELLS BY UPREGULATING JAG-1
  申请人：Frequency Therapeutics, Inc.

  公开号：EP3837352A1

  公开（公告）日：2021-06-23
• COMPOSITIONS AND METHODS FOR GENERATING HAIR CELLS BY UPREGULATING PI3K
  申请人：Frequency Therapeutics, Inc.

  公开号：EP3837350A1

  公开（公告）日：2021-06-23