C3 heterocyle indenopyrazole 8k | 247149-68-4

• 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: C3 heterocyle indenopyrazole 8k
• 英文别名: ethyl 5-[5-(morpholin-4-ylcarbamoylamino)-4-oxo-2H-indeno[1,2-c]pyrazol-3-yl]thiophene-2-carboxylate
• CAS: 247149-68-4
• 化学式: C₂₂H₂₁N₅O₅S
• 分子量: 467.505
• InChiKey: BJIZTMRDGJUQEG-UHFFFAOYSA-N

物化性质

• 密度：
  1.54±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2.7
• 重原子数：
  33
• 可旋转键数：
  6
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.27
• 拓扑面积：
  154
• 氢给体数：
  3
• 氢受体数：
  8

反应信息

• 作为反应物：
  描述：

  1-乙基高哌嗪 、 C3 heterocyle indenopyrazole 8k 生成 1-[3-[5-(4-ethyl-1,4-diazepane-1-carbonyl)thiophen-2-yl]-4-oxo-2H-indeno[1,2-c]pyrazol-5-yl]-3-morpholin-4-ylurea
  参考文献：
  名称：

  Synthesis and evaluation of indenopyrazoles as cyclin-dependent kinase inhibitors. Part 4: Heterocycles at C3

  摘要：

  New indeno[1,2-c]pyrazol-4-one cyclin dependent kinase inhibitors have been disclosed. The most promising compounds are nanomolar enzyme inhibitors with excellent activity against tumor cells. The most advanced compound retains cell culture activity even in the presence of human serum proteins. The most advanced compound did not kill the normal fibroblast line AG1523.

  DOI：

  10.1016/j.bmcl.2003.11.008
• 作为产物：
  描述：

  在 肼 作用下， 以 乙醇 为溶剂， 生成 C3 heterocyle indenopyrazole 8k
  参考文献：
  名称：

  Synthesis and evaluation of indenopyrazoles as cyclin-dependent kinase inhibitors. Part 4: Heterocycles at C3

  摘要：

  New indeno[1,2-c]pyrazol-4-one cyclin dependent kinase inhibitors have been disclosed. The most promising compounds are nanomolar enzyme inhibitors with excellent activity against tumor cells. The most advanced compound retains cell culture activity even in the presence of human serum proteins. The most advanced compound did not kill the normal fibroblast line AG1523.

  DOI：

  10.1016/j.bmcl.2003.11.008

文献信息

• Indeno [1,2-c]pyrazol-4-ones and their uses
  申请人：——

  公开号：US20010027195A1

  公开（公告）日：2001-10-04

  The present invention relates to the synthesis of a new class of indeno[1,2-c]pyrazol-4-ones of formula (I): 1 that are potent inhibitors of the class of enzymes known as cyclin dependent kinases, which relate to the catalytic subunits cdk1-9 and their regulatory subunits know as cyclins A-H. This invention also provides a novel method of treating cancer or other proliferative diseases by administering a therapeutically effective amount of one of these compounds or a pharmaceutically acceptable salt form thereof. Alternatively, one can treat cancer or other proliferative diseases by administering a therapeutically effective combination of one of the compounds of the present invention and one or more other known anti-cancer or anti-proliferative agents.

  本发明涉及合成一种新类别的indeno[1,2-c]pyrazol-4-ones化合物，其化学式为(I):1，这些化合物是一类名为细胞周期依赖性激酶的酶的强效抑制剂，与催化亚基cdk1-9及其调节亚基cyclins A-H有关。本发明还提供了一种新颖的治疗癌症或其他增生性疾病的方法，即通过给予这些化合物中的一种或其药用可接受的盐形式的治疗有效剂量。另外，可以通过给予本发明化合物之一与一种或多种其他已知的抗癌或抗增生剂的治疗有效组合来治疗癌症或其他增生性疾病。
• US6407103B2
  申请人：——

  公开号：US6407103B2

  公开（公告）日：2002-06-18
• Synthesis and evaluation of indenopyrazoles as cyclin-dependent kinase inhibitors. Part 4: Heterocycles at C3
  作者：Eddy W. Yue、Susan V. DiMeo、C.Anne Higley、Jay A. Markwalder、Catherine R. Burton、Pamela A. Benfield、Robert H. Grafstrom、Sarah Cox、Jodi K. Muckelbauer、Angela M. Smallwood、Haiying Chen、Chong-Hwan Chang、George L. Trainor、Steven P. Seitz

  DOI：10.1016/j.bmcl.2003.11.008

  日期：2004.1

  New indeno[1,2-c]pyrazol-4-one cyclin dependent kinase inhibitors have been disclosed. The most promising compounds are nanomolar enzyme inhibitors with excellent activity against tumor cells. The most advanced compound retains cell culture activity even in the presence of human serum proteins. The most advanced compound did not kill the normal fibroblast line AG1523.