2-Amino-7-(1-benzylpyrrolidin-3-yl)-4,5-dihydrothieno[2,3-e]indazole-3-carboxamide | 1204224-14-5

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 噻吩类
• 英文名称: 2-Amino-7-(1-benzylpyrrolidin-3-yl)-4,5-dihydrothieno[2,3-e]indazole-3-carboxamide
• CAS: 1204224-14-5
• 化学式: C₂₁H₂₃N₅OS
• 分子量: 393.513
• InChiKey: HAMCFNDUDCACJG-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.6
• 重原子数：
  28
• 可旋转键数：
  4
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.33
• 拓扑面积：
  118
• 氢给体数：
  2
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  2-Amino-7-(1-benzylpyrrolidin-3-yl)-4,5-dihydrothieno[2,3-e]indazole-3-carboxamide 、 sodium isocyanate 以 水 、 溶剂黄146 为溶剂， 反应 2.0h， 生成 7-(1-Benzylpyrrolidin-3-yl)-2-(carbamoylamino)-4,5-dihydrothieno[2,3-e]indazole-3-carboxamide
  参考文献：
  名称：

  Novel dihydrothieno[2,3-e]indazole derivatives as IκB kinase inhibitors

  摘要：

  Synthesis, and structure-activity relationship (SAR) studies of the novel IKK-beta inhibitors 2 and 3 characterized by a dihydrothieno[2,3-e]indazole core are presented. Compound 2t was efficacious in a mouse model of LPS-stimulated TNF-alpha production. (C) 2011 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2011.01.069
• 作为产物：
  描述：

  2-(1-benzylpyrrolidin-3-yl)-2,4,6,7-tetrahydro-5H-indazol-5-one 在 吗啉 、 sulfur 、 硫酸 作用下， 以 四氢呋喃 、 乙醇 为溶剂， 反应 4.0h， 生成 2-Amino-7-(1-benzylpyrrolidin-3-yl)-4,5-dihydrothieno[2,3-e]indazole-3-carboxamide
  参考文献：
  名称：

  Novel dihydrothieno[2,3-e]indazole derivatives as IκB kinase inhibitors

  摘要：

  Synthesis, and structure-activity relationship (SAR) studies of the novel IKK-beta inhibitors 2 and 3 characterized by a dihydrothieno[2,3-e]indazole core are presented. Compound 2t was efficacious in a mouse model of LPS-stimulated TNF-alpha production. (C) 2011 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2011.01.069

文献信息

• Novel dihydrothieno[2,3-e]indazole derivatives as IκB kinase inhibitors
  作者：Hiroyasu Takahashi、Mariko Shinoyama、Takashi Komine、Muneki Nagao、Masashi Suzuki、Hisatoshi Tsuchida、Koichi Katsuyama

  DOI：10.1016/j.bmcl.2011.01.069

  日期：2011.3

  Synthesis, and structure-activity relationship (SAR) studies of the novel IKK-beta inhibitors 2 and 3 characterized by a dihydrothieno[2,3-e]indazole core are presented. Compound 2t was efficacious in a mouse model of LPS-stimulated TNF-alpha production. (C) 2011 Elsevier Ltd. All rights reserved.