N-(p-Tolylsulfonyl)-N'-(4-methylcyclohexyl)harnstoff | 20406-43-3

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: N-(p-Tolylsulfonyl)-N'-(4-methylcyclohexyl)harnstoff
• 英文别名: 1-(4-Methylcyclohexyl)-3-(4-methylphenyl)sulfonylurea
• CAS: 20406-43-3
• 化学式: C₁₅H₂₂N₂O₃S
• 分子量: 310.417
• InChiKey: YWOLKJINWODAHN-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.2
• 重原子数：
  21
• 可旋转键数：
  3
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.53
• 拓扑面积：
  83.6
• 氢给体数：
  2
• 氢受体数：
  3

反应信息

• 作为产物：
  描述：

  对甲基苯磺酰异氰酸酯 、 1-氨基-4-甲基环己烷 以 甲苯 为溶剂， 以73%的产率得到N-(p-Tolylsulfonyl)-N'-(4-methylcyclohexyl)harnstoff
  参考文献：
  名称：

  Novel agents effective against solid tumors: the diarylsulfonylureas. Synthesis, activities, and analysis of quantitative structure-activity relationships

  摘要：

  A series of diarylsulfonylureas with exceptionally broad-spectrum activity against syngeneic rodent solid tumors in vivo is described. Their discovery resulted from a program dedicated to in vivo screening for novel oncolytics in solid tumor models, rather than traditional ascites leukemia models. The structures, oral efficacy, side-effect profile, and mechanism of action of these sulfonylureas appear to be distinct from previously known classes of oncolytics. An extensive series of analogues was prepared to probe structure-activity relationships (SAR), with particular focus on the substituent patterns of each aryl domain. Quantitative analysis of these substituent SARs, using the method of cluster significance analysis, showed the lipophilicity of the substituents to be the dominant determinant of activity. One compound from the series, LY186641 (104, sulofenur), has progressed to Phase I clinical trials as an antitumor drug.

  DOI：

  10.1021/jm00171a013

文献信息

• Polyolefin resin composition containing diacetal
  申请人：Horie Shouichi

  公开号：US20060100324A1

  公开（公告）日：2006-05-11

  An object of the present invention is to provide a polyolefin resin composition with excellent transparency, which is obtained by a method which is economically advantageous, and easily produces said composition, wherein said composition hardly generates white spots thought to be an insoluble part of a diacetal compound, while retaining the intact transparency imparted by the diacetal. A clarifier for polyolefin resins which comprises a combination of an acetal compound represented by the general formula (1) with a specific amount of a modifier represented by the general formula (2) or (3) is used. Thus, white spots thought to be an insoluble part of the diacetal compound can be significantly diminished.

  本发明的目的是提供一种具有优异透明度的聚烯烃树脂组合物，该组合物通过一种经济上有利的方法获得，并且易于生产所述组合物，其中所述组合物几乎不产生被认为是二缩醛化合物不溶部分的白点，同时保持二缩醛赋予的完整透明度。聚烯烃树脂澄清剂由通式（1）表示的缩醛化合物与一定量的通式（2）或（3）表示的改性剂组合而成。因此，被认为是二缩醛化合物不溶性部分的白点可以显著减少。
• HOWBERT, J. JEFFRY;GROSSMAN, C. SUE;CROWELL, THOMAS A.;RIEDER, BRENT J.;H+, J. MED. CHEM., 33,(1990) N, C. 2393-2407
  作者：HOWBERT, J. JEFFRY、GROSSMAN, C. SUE、CROWELL, THOMAS A.、RIEDER, BRENT J.、H+

  DOI：——

  日期：——
• Novel agents effective against solid tumors: the diarylsulfonylureas. Synthesis, activities, and analysis of quantitative structure-activity relationships
  作者：J. Jeffry Howbert、C. Sue Grossman、Thomas A. Crowell、Brent J. Rieder、Richard W. Harper、Kenneth E. Kramer、Eddie V. Tao、James Aikins、Gerald A. Poore

  DOI：10.1021/jm00171a013

  日期：1990.9

  A series of diarylsulfonylureas with exceptionally broad-spectrum activity against syngeneic rodent solid tumors in vivo is described. Their discovery resulted from a program dedicated to in vivo screening for novel oncolytics in solid tumor models, rather than traditional ascites leukemia models. The structures, oral efficacy, side-effect profile, and mechanism of action of these sulfonylureas appear to be distinct from previously known classes of oncolytics. An extensive series of analogues was prepared to probe structure-activity relationships (SAR), with particular focus on the substituent patterns of each aryl domain. Quantitative analysis of these substituent SARs, using the method of cluster significance analysis, showed the lipophilicity of the substituents to be the dominant determinant of activity. One compound from the series, LY186641 (104, sulofenur), has progressed to Phase I clinical trials as an antitumor drug.