phenyl N-[2-(2,4-dimethyl-1,3-thiazole-5-carbonyl)-1,3-dioxoinden-4-yl]carbamate | 364736-03-8

• 分子结构分类: 有机化合物 - 苯类化合物 - 茚满类
• 英文名称: phenyl N-[2-(2,4-dimethyl-1,3-thiazole-5-carbonyl)-1,3-dioxoinden-4-yl]carbamate
• CAS: 364736-03-8
• 化学式: C₂₂H₁₆N₂O₅S
• 分子量: 420.445
• InChiKey: WUONQPACYFIRKD-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.8
• 重原子数：
  30
• 可旋转键数：
  5
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.14
• 拓扑面积：
  131
• 氢给体数：
  1
• 氢受体数：
  7

反应信息

• 作为反应物：
  描述：

  phenyl N-[2-(2,4-dimethyl-1,3-thiazole-5-carbonyl)-1,3-dioxoinden-4-yl]carbamate 在 肼 作用下， 以 乙醇 、 二甲基亚砜 为溶剂， 生成 C3 heterocyle indenopyrazole 8n
  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：

  2,4-二甲基-5-乙酰基噻唑 在 水 、 乙酸酐 、 sodium carbonate 、 三乙胺 、 calcium chloride 、 锌 作用下， 以 乙醇 、 丙酮 为溶剂， 生成 phenyl N-[2-(2,4-dimethyl-1,3-thiazole-5-carbonyl)-1,3-dioxoinden-4-yl]carbamate
  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

• 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.