6-[2-(6-methyl-pyridin-2-yl)-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-3-yl]-3-(2-piperidin-1-yl-ethyl)-3H-quinazolin-4-one

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 二氮杂萘
• 英文名称: 6-[2-(6-methyl-pyridin-2-yl)-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-3-yl]-3-(2-piperidin-1-yl-ethyl)-3H-quinazolin-4-one
• 英文别名: 6-[2-(6-methylpyridin-2-yl)-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-3-yl]-3-(2-piperidin-1-ylethyl)quinazolin-4-one
• 化学式: C₂₇H₃₀N₆O
• 分子量: 454.575
• InChiKey: BAPCCEFGTSTREM-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.1
• 重原子数：
  34
• 可旋转键数：
  5
• 环数：
  6.0
• sp3杂化的碳原子比例：
  0.41
• 拓扑面积：
  66.6
• 氢给体数：
  0
• 氢受体数：
  5

反应信息

• 作为产物：
  描述：

  哌啶 、 3-(2-chloro-ethyl)-6-[2-(6-methyl-pyridin-2-yl)-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-3-yl]-3H-quinazolin-4-one 反应 1.0h， 以71%的产率得到6-[2-(6-methyl-pyridin-2-yl)-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-3-yl]-3-(2-piperidin-1-yl-ethyl)-3H-quinazolin-4-one
  参考文献：
  名称：

  通过一锅三组分铃木-宫浦/醚化和亚氨酸酯-酰胺重排反应合成喹唑啉酮TGF-βRI抑制剂

  摘要：

  已经开发了一种简单而有效的合成二氢吡咯并吡唑硼酸中间体（5）的方法。微波加热使用三组分Suzuki-Miyaura /醚化反应可产生高产率且易于纯化的高级化合物11。在室温下，化合物11与甲磺酰氯的反应提供了1,3 O – N重排产物（12），该产物经推测是通过分子内机理进行的。概述的合成提供了适用于快速模拟合成的高效且高产率的途径。

  DOI：

  10.1016/j.tet.2007.08.069

文献信息

• [EN] FUSED PYRAZOLE DERIVATIVES AS TGF-BETA SIGNAL TRANSDUCTION INHIBITORS FOR THE TREATMENT OF FIBROSIS AND NEOPLASMS<br/>[FR] DERIVES DE PYRAZOLE FONDU EN TANT QU'INHIBITEURS DE TRANSDUCTION DE SIGNAL TGF-BETA POUR TRAITER LES FIBROSES ET LES NEOPLASMES
  申请人：LILLY CO ELI

  公开号：WO2005092894A1

  公开（公告）日：2005-10-06

  The disclosed invention is directed to compounds of the formula: Formula (I) and methods of using these compounds.

  所披露的发明涉及公式（I）的化合物以及使用这些化合物的方法。
• Fused pyrazole derivatives as tgf-beta signal transduction inhibitors for the treatment of fibrosis and neoplasms
  申请人：Li Hong-Yu

  公开号：US20070155722A1

  公开（公告）日：2007-07-05

  The disclosed invention is directed to compounds of the formula: Formula (I) and methods of using these compounds.

  公开的发明涉及以下化合物的配方：配方（I），以及使用这些化合物的方法。
• FUSED PYRAZOLE DERIVATIVES AS TGF-BETA SIGNAL TRANSDUCTION INHIBITORS FOR THE TREATMENT OF FIBROSIS AND NEOPLASMS
  申请人：ELI LILLY AND COMPANY

  公开号：EP1723146A1

  公开（公告）日：2006-11-22
• EFFICIENT INDUCTION OF PLURIPOTENT STEM CELLS USING SMALL MOLECULE COMPOUNDS
  申请人：Ichida Justin

  公开号：US20120021519A1

  公开（公告）日：2012-01-26

  The disclosure features a method of producing a reprogrammed cell (e.g. an induced pluripotent stem cell or an undifferentiated cell) from a differentiated (e.g. somatic) cell. In some embodiments, the methods includes contacting a differentiated (e.g. somatic cell) with a TGFBR1 inhibitor or anti-TGF-β-antibody to produce a reprogrammed cell (e.g. pluripotent stem cell or undifferentiated cell). Embodiments of the present invention relate to a reprogrammed cell and methods and compositions for producing a chemically produced reprogrammed cell or populations thereof.
• TGF-BETA RECEPTOR INHIBITORS TO ENHANCE DIRECT REPROGRAMMING
  申请人：THE GENERAL HOSPITAL CORPORATION

  公开号：US20140120621A1

  公开（公告）日：2014-05-01

  In general, iPS cells are produced by delivery of stem cell-associated genes into adult somatic cells (e.g., fibroblasts). Described herein are methods for enhancing the efficiency and rate of induced pluripotent stem cell production by treating somatic cells with a transforming growth factor-beta receptor (TGFβR) inhibitor. Also described herein are iPS cell compositions made according to the methods described herein and iPS cell compositions comprising an iPS cell in an admixture with a TGFβR inhibitor. Further described herein are kits for producing iPS cells using a TGFβR inhibitor.