methyl 4-((3-(piperidin-1-yl)propyl)amino)-2-(3-(3-(trifluoromethyl)diaziridin-3-yl)benzyl)-9H-pyrimido[4,5-b]indole-7-carboxylate | 1448724-33-1

• 分子结构分类: 有机化合物 - 脂质和类脂质分子 - 异戊烯醇脂质
• 英文名称: methyl 4-((3-(piperidin-1-yl)propyl)amino)-2-(3-(3-(trifluoromethyl)diaziridin-3-yl)benzyl)-9H-pyrimido[4,5-b]indole-7-carboxylate
• 英文别名: methyl 4-(3-piperidin-1-ylpropylamino)-2-[[3-[3-(trifluoromethyl)diaziridin-3-yl]phenyl]methyl]-9H-pyrimido[4,5-b]indole-7-carboxylate
• CAS: 1448724-33-1
• 化学式: C₂₉H₃₂F₃N₇O₂
• 分子量: 567.614
• InChiKey: PZGDTUZDESILON-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.3
• 重原子数：
  41
• 可旋转键数：
  10
• 环数：
  6.0
• sp3杂化的碳原子比例：
  0.41
• 拓扑面积：
  127
• 氢给体数：
  4
• 氢受体数：
  11

反应信息

• 作为反应物：
  描述：

  methyl 4-((3-(piperidin-1-yl)propyl)amino)-2-(3-(3-(trifluoromethyl)diaziridin-3-yl)benzyl)-9H-pyrimido[4,5-b]indole-7-carboxylate 在 碘 、 三乙胺 作用下， 以 二氯甲烷 为溶剂， 反应 0.25h， 以84%的产率得到methyl 4-((3-(piperidin-1-yl)propyl)amino)-2-(3-(3-(trifluoromethyl)-3H-diazirin-3-yl)benzyl)-9H-pyrimido[4,5-b]indole-7-carboxylate
  参考文献：
  名称：

  [EN] PYRIMIDO[4,5-B]INDOLE DERIVATIVES AND USE THEREOF IN THE EXPANSION OF HEMATOPOIETIC STEM CELLS
  [FR] DÉRIVÉS DE PYRIMIDO[4,5-B]INDOLE ET LEUR UTILISATION DANS L'EXPANSION DES CELLULES SOUCHES HÉMATOPOÏÉTIQUES

  摘要：

  提供了嘧啶并[4,5-b]吲哚衍生物。这些化合物对扩大造血干细胞群体特别是人类造血干细胞群体是有用的。这些化合物也在治疗涉及造血干细胞的疾病方面是有用的。

  公开号：

  WO2013110198A1
• 作为产物：
  描述：

  methyl 4-((3-(piperidin-1-yl)propyl)amino)-2-(3-(2,2,2-trifluoro-1-hydroxyethyl)benzyl)-9H-pyrimido[4,5-b]indole-7-carboxylate trifluoroacetic acid salt 在 4-二甲氨基吡啶 、 盐酸羟胺 、 氨 、 戴斯-马丁氧化剂 、 三乙胺 作用下， 以 吡啶 、 甲醇 、 二氯甲烷 为溶剂， 反应 122.0h， 生成 methyl 4-((3-(piperidin-1-yl)propyl)amino)-2-(3-(3-(trifluoromethyl)diaziridin-3-yl)benzyl)-9H-pyrimido[4,5-b]indole-7-carboxylate
  参考文献：
  名称：

  [EN] PYRIMIDO[4,5-B]INDOLE DERIVATIVES AND USE THEREOF IN THE EXPANSION OF HEMATOPOIETIC STEM CELLS
  [FR] DÉRIVÉS DE PYRIMIDO[4,5-B]INDOLE ET LEUR UTILISATION DANS L'EXPANSION DES CELLULES SOUCHES HÉMATOPOÏÉTIQUES

  摘要：

  提供了嘧啶并[4,5-b]吲哚衍生物。这些化合物对扩大造血干细胞群体特别是人类造血干细胞群体是有用的。这些化合物也在治疗涉及造血干细胞的疾病方面是有用的。

  公开号：

  WO2013110198A1

文献信息

• PYRIMIDO[4,5-B]INDOLE DERIVATIVES AND USE THEREOF IN THE EXPANSION OF HEMATOPOIETIC STEM CELLS
  申请人：UNIVERSITÉ DE MONTRÉAL

  公开号：US20150011543A1

  公开（公告）日：2015-01-08

  Pyrimido[4,5-b]indole derivatives are provided. These compounds are useful to expand hematopoietic stem cell populations, particularly, human hematopoietic stem cell populations. The compounds are also useful in the medical treatment of diseases that involve hematopoietic stem cells.

  提供了Pyrimido [4,5-b] indole 衍生物。这些化合物有助于扩展造血干细胞群体，特别是人类造血干细胞群体。这些化合物还可用于治疗涉及造血干细胞的疾病。
• Pyrimido[4,5-B]indole derivatives and use thereof in the expansion of hematopoietic stem cells
  申请人：UNIVERSITÉ DE MONTRÉAL

  公开号：US09296744B2

  公开（公告）日：2016-03-29

  Pyrimido[4,5-b]indole derivatives are provided. These compounds are useful to expand hematopoietic stem cell populations, particularly, human hematopoietic stem cell populations. The compounds are also useful in the medical treatment of diseases that involve hematopoietic stem cells.

  提供了Pyrimido [4,5-b] indole衍生物。这些化合物对于扩展造血干细胞群体特别是人类造血干细胞群体是有用的。这些化合物也可用于治疗涉及造血干细胞的疾病的医疗治疗。
• Compounds and methods for enhancing viral gene transfer to human hematopoietic cells
  申请人：UNIVERSTÉ DE MONTRÉAL

  公开号：US10273503B2

  公开（公告）日：2019-04-30

  Methods and compositions for enhancing viral gene transfer, such as lentiviral gene transfer, and improving the efficacy of gene delivery to cells such as primitive hematopoietic cells, are described. These methods and compositions are based on the use of pyrimido[4,5-b]indole derivatives. Cell-based compositions and methods useful for therapeutic indications amenable to treatment with gene therapies, including hematopoietic stem cell therapies, are also described.

  本文介绍了增强病毒基因转移（如慢病毒基因转移）和提高向细胞（如原始造血细胞）传递基因的效力的方法和组合物。这些方法和组合物基于嘧啶并[4,5-b]吲哚衍生物的使用。此外，还介绍了适用于基因疗法（包括造血干细胞疗法）治疗适应症的细胞基组合物和方法。
• COMPOUNDS AND METHODS FOR ENHANCING VIRAL GENE TRANSFER TO HUMAN HEMATOPOIETIC CELLS
  申请人：UNIVERSITÉ DE MONTRÉAL

  公开号：US20180201953A1

  公开（公告）日：2018-07-19

  Methods and compositions for enhancing viral gene transfer, such as lentiviral gene transfer, and improving the efficacy of gene delivery to cells such as primitive hematopoietic cells, are described. These methods and compositions are based on the use of pyrimido[4,5-b]indole derivatives. Cell-based compositions and methods useful for therapeutic indications amenable to treatment with gene therapies, including hematopoietic stem cell therapies, are also described.
• METHODS AND COMPOSITIONS RELATING TO HEMATOPOIETIC STEM CELL EXPANSION
  申请人：CHILDREN'S MEDICAL CENTER CORPORATION

  公开号：US20190119642A1

  公开（公告）日：2019-04-25

  Described herein are methods and compositions relating to expanding, enriching, and/or maintaining a population of hematopoietic stem cells ex vivo. In some embodiments, the methods and compositions can relate to a combination of two or more agents, e.g., an agent that increases the expression of a Notch target gene; an agent that activates a ubiquitin ligase complex comprising cereblon; a compound that inhibits BMP signaling; a modulator of histone methylation; an inhibitor of TGFβ signaling; an inhibitor of p38 signaling; an activator of canonical Wnt signaling; a modulator of histone acetylation; a compound represented by formula (1); an aryl hydrocarbon receptor inhibitor; a histone demethylase inhibitor; a TGFβ receptor inhibitor; a compound that inhibits a protein that propagates p38 signaling; a compound that inhibits a protein that promotes β-catenin degradation; a histone deacetylase inhibitor; Prostaglandin; an agonist of Notch signaling; an inhibitor of SIRT1; UM171; and/or a compound listed in Table 1.