methyl 2-benzyl-4-((3-(methyl(3-(5-((3aS,4S,6aR)-2-oxohexahydro-1H-thieno[3,4-d]imidazol-4-yl)pentanamido)propyl)amino)propyl)amino)-9H-pyrimido[4,5-b]indole-7-carboxylate | 1448724-22-8

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 生物素及其衍生物
• 英文名称: methyl 2-benzyl-4-((3-(methyl(3-(5-((3aS,4S,6aR)-2-oxohexahydro-1H-thieno[3,4-d]imidazol-4-yl)pentanamido)propyl)amino)propyl)amino)-9H-pyrimido[4,5-b]indole-7-carboxylate
• 英文别名: methyl 4-[3-[3-[5-[(3aS,4S,6aR)-2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl]pentanoylamino]propyl-methylamino]propylamino]-2-benzyl-9H-pyrimido[4,5-b]indole-7-carboxylate
• CAS: 1448724-22-8
• 化学式: C₃₆H₄₆N₈O₄S
• 分子量: 686.878
• InChiKey: WUAGZILOXMPQMM-HPSLPFNASA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.7
• 重原子数：
  49
• 可旋转键数：
  18
• 环数：
  6.0
• sp3杂化的碳原子比例：
  0.47
• 拓扑面积：
  179
• 氢给体数：
  5
• 氢受体数：
  9

反应信息

• 作为产物：
  描述：

  N,N-双(3-氨丙基)甲胺 、 methyl 2-benzyl-4-chloro-9H-pyrimido[4,5-b]indole-7-carboxylate 在 三乙胺 作用下， 以 甲醇 、 N,N-二甲基甲酰胺 为溶剂， 反应 1.5h， 生成 methyl 2-benzyl-4-((3-(methyl(3-(5-((3aS,4S,6aR)-2-oxohexahydro-1H-thieno[3,4-d]imidazol-4-yl)pentanamido)propyl)amino)propyl)amino)-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

• [EN] COMPOUNDS AND METHODS FOR ENHANCING VIRAL GENE TRANSFER TO HUMAN HEMATOPOIETIC CELLS<br/>[FR] COMPOSÉS ET PROCÉDÉ POUR L'ACCROISSEMENT DU TRANSFERT DE GÈNES VIRAUX VERS DES CELLULES HÉMATOPOÏÉTIQUES HUMAINES
  申请人：UNIV MONTREAL

  公开号：WO2016041080A1

  公开（公告）日：2016-03-24

  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.

  描述了用于增强病毒基因转移（如慢病毒基因转移）并改善基因传递到原始造血细胞等细胞的方法和组合物。这些方法和组合物基于嘧啶并[4,5-b]吲哚衍生物的使用。还描述了用于治疗适合进行基因疗法治疗的治疗指标的细胞基础组合物和方法，包括造血干细胞疗法。
• 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。
• 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。
• 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：US10336747B2

  公开（公告）日：2019-07-02

  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.

  本研究提供了嘧啶并[4,5-b]吲哚衍生物。这些化合物有助于扩大造血干细胞群，特别是人类造血干细胞群。这些化合物还可用于治疗涉及造血干细胞的疾病。
• Methods and compositions relating to hematopoietic stem cell expansion, enrichment, and maintenance
  申请人：CHILDREN'S MEDICAL CENTER CORPORATION

  公开号：US10669528B2

  公开（公告）日：2020-06-02

  The methods and compositions described herein relate to producing, expanding, enriching, and/or maintaining hematopoietic stem cells ex vivo by treating the cells with an agent(s) that exhibits two or more activities selected from modulation of histone methylation; inhibition of TGFβ signaling; inhibition of p38 signaling; activation of canonical Wnt signaling; and modulation of histone acetylation. In some embodiments, the technology described herein relates to transplantation of hematopoietic stem cells.

  本文所述的方法和组合物涉及用一种或多种药剂处理体内外造血干细胞，以产生、扩增、富集和/或维持造血干细胞，这些药剂具有两种或多种活性，选自组蛋白甲基化调节；TGFβ信号转导抑制；p38信号转导抑制；典型Wnt信号转导激活；组蛋白乙酰化调节。在某些实施方案中，本文所述技术涉及造血干细胞的移植。