methanesulfonic acid 3-{6-[2-(6-methyl-pyridin-2-yl)-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-3-yl]benzoimidazol-1-yl}propyl ester | 705263-42-9

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 苯并咪唑类
• 英文名称: methanesulfonic acid 3-{6-[2-(6-methyl-pyridin-2-yl)-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-3-yl]benzoimidazol-1-yl}propyl ester
• 英文别名: methanesulfonic acid 3-[6-[2-(6-methyl-pyridin-2-yl)-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-3-yl]-benzoimidazol-1-yl]-propyl ester；3-[6-[2-(6-methylpyridin-2-yl)-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-3-yl]benzimidazol-1-yl]propyl methanesulfonate
• CAS: 705263-42-9
• 化学式: C₂₃H₂₅N₅O₃S
• 分子量: 451.549
• InChiKey: YLQPJOIFOSTCIA-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.5
• 重原子数：
  32
• 可旋转键数：
  7
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.35
• 拓扑面积：
  100
• 氢给体数：
  0
• 氢受体数：
  6

反应信息

• 作为反应物：
  描述：

  四氢吡咯 、 methanesulfonic acid 3-{6-[2-(6-methyl-pyridin-2-yl)-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-3-yl]benzoimidazol-1-yl}propyl ester 以 四氢呋喃 为溶剂， 反应 0.5h， 以97%的产率得到6-[2-(6-methyl-pyridin-2-yl)-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-3-yl]-1-(3-pyrrolidin-1-yl-propyl)-1H-benzoimidazole
  参考文献：
  名称：

  Dihydropyrrolopyrazole Transforming Growth Factor-β Type I Receptor Kinase Domain Inhibitors:  A Novel Benzimidazole Series with Selectivity versus Transforming Growth Factor-β Type II Receptor Kinase and Mixed Lineage Kinase-7

  摘要：

  Novel dihydropyrrolopyrazole-substituted benzimidazoles were synthesized and evaluated in vitro as inhibitors of transforming growth factor-beta type I receptor (TGF-beta RI), TGF-beta RII, and mixed lineage kinase-7 (MLK-7). These compounds were found to be potent TGF-beta RI inhibitors and selective versus TGF-beta RII and MLK-7 kinases. Benzimidazole derivative 8b was active in an in vivo target (TGF-beta RI) inhibition assay.

  DOI：

  10.1021/jm058209g
• 作为产物：
  描述：

  2-(6-methyl-pyridin-2-yl)-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazole-3-boronic acid 在 吡啶 、 四(三苯基膦)钯 、 碳酸氢钠 、 溶剂黄146 作用下， 以 四氢呋喃 、 二甲基亚砜 为溶剂， 反应 2.0h， 生成 methanesulfonic acid 3-{6-[2-(6-methyl-pyridin-2-yl)-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-3-yl]benzoimidazol-1-yl}propyl ester
  参考文献：
  名称：

  Dihydropyrrolopyrazole Transforming Growth Factor-β Type I Receptor Kinase Domain Inhibitors:  A Novel Benzimidazole Series with Selectivity versus Transforming Growth Factor-β Type II Receptor Kinase and Mixed Lineage Kinase-7

  摘要：

  Novel dihydropyrrolopyrazole-substituted benzimidazoles were synthesized and evaluated in vitro as inhibitors of transforming growth factor-beta type I receptor (TGF-beta RI), TGF-beta RII, and mixed lineage kinase-7 (MLK-7). These compounds were found to be potent TGF-beta RI inhibitors and selective versus TGF-beta RII and MLK-7 kinases. Benzimidazole derivative 8b was active in an in vivo target (TGF-beta RI) inhibition assay.

  DOI：

  10.1021/jm058209g

文献信息

• [EN] NOVEL COMPOUNDS AS PHARMACEUTICAL AGENTS<br/>[FR] DERIVES PYRAZOLO CONDENSES
  申请人：LILLY CO ELI

  公开号：WO2004050659A1

  公开（公告）日：2004-06-17

  The current invention relates to compounds of the formula:(Ia) and the pharmaceutically acceptable salts thereof and their use as TGF-beta signal transduction inhibitors for treating cancer and other diseases in a patient in need thereof by administration of said compounds.

  目前的发明涉及以下式(Ia)的化合物及其药用盐，以及它们作为TGF-beta信号传导抑制剂用于治疗患有癌症和其他疾病的患者的用途，通过给予这些化合物进行治疗。
• Novel compounds as pharmaceutical agents
  申请人：Beight Wade Douglas

  公开号：US20060058295A1

  公开（公告）日：2006-03-16

  The current invention relates to compounds of the formula: (Ia) and the pharmaceutically acceptable salts thereof and their use as TGF-beta signal transduction inhibitors for treating cancer and other diseases in a patient in need thereof by administration of said compounds.

  本发明涉及以下化合物的公式：（Ia），以及其药学上可接受的盐，并通过给予该化合物的途径将其用作TGF-beta信号转导抑制剂，以治疗患有癌症和其他疾病的患者。
• Compounds as pharmaceutical agents
  申请人：Eli Lilly and Company

  公开号：US07405299B2

  公开（公告）日：2008-07-29

  The current invention relates to compounds of the formula: (Ia) and the pharmaceutically acceptable salts thereof and their use as TGF-beta signal transduction inhibitors for treating cancer and other diseases in a patient in need thereof by administration of said compounds.

  本发明涉及公式（Ia）的化合物及其药学上可接受的盐，并且通过给患者使用这些化合物，作为TGF-beta信号转导抑制剂来治疗癌症和其他疾病。
• CONDENSED PYRAZOLO DERIVATIVES
  申请人：ELI LILLY AND COMPANY

  公开号：EP1567527A1

  公开（公告）日：2005-08-31
• US7405299B2
  申请人：——

  公开号：US7405299B2

  公开（公告）日：2008-07-29