N-cyclohexyl-N'-cyclooctylurea | 1220-01-5

• 分子结构分类: 有机化合物 - 有机酸及其衍生物 - 有机碳酸及其衍生物
• 英文名称: N-cyclohexyl-N'-cyclooctylurea
• 英文别名: 1-cyclohexyl-3-cyclooctylurea
• CAS: 1220-01-5
• 化学式: C₁₅H₂₈N₂O
• mdl: MFCD03377225
• 分子量: 252.4
• InChiKey: LITYOAMZVKPAFJ-UHFFFAOYSA-N

物化性质

• 熔点：
  197.0-197.5 °C
• 沸点：
  435.3±12.0 °C(Predicted)
• 密度：
  1.00±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  4.1
• 重原子数：
  18
• 可旋转键数：
  2
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.933
• 拓扑面积：
  41.1
• 氢给体数：
  2
• 氢受体数：
  1

反应信息

• 作为产物：
  描述：

  环辛胺 、 环己基异氰酸酯 以 正己烷 为溶剂， 反应 24.0h， 以provides 0.664 g (88%) of 1-cyclohexyl-3-cyclooctylurea as white needles, mp 194.0-194.5° C的产率得到N-cyclohexyl-N'-cyclooctylurea
  参考文献：
  名称：

  Epoxide hydrolase complexes and methods therewith

  摘要：

  提供了生物稳定的可溶性环氧酶抑制剂。该抑制剂可用于选择性地抑制环氧酶，例如在治疗炎症中使用，在环氧酶的亲和分离中使用，以及在农业应用中使用。用于实施本发明的优选化合物类别具有公式1所示的结构 ##STR1## 其中X和Y各自独立地为氮、氧或硫，X可以进一步为碳，R.sub.1-R.sub.4中至少有一个为氢，当X为氮时，R.sub.2为氢，但当X为硫或氧时不存在，当Y为氮时，R.sub.4为氢，但当Y为硫或氧时不存在，R.sub.1和R.sub.3各自独立地为取代或未取代的烷基、卤代烷基、环烷基、芳香族、酰基或杂环族，或者是代谢物或降解产物。

  公开号：

  US06150415A1

文献信息

• Inhibitors of epoxide hydrolases for the treatment of hypertension
  申请人：Hammock D. Bruce

  公开号：US20060035869A1

  公开（公告）日：2006-02-16

  Biologically stable inhibitors of soluble epoxide hydrolases are provided. The inhibitors can be used, for example, to selectively inhibit epoxide hydrolase in therapeutic applications such as treating inflammation, for use in affinity separations of the epoxide hydrolases, and in agricultural applications. A preferred class of compounds for practicing the invention have the structure shown by Formula 1 wherein X and Y is each independently nitrogen, oxygen, or sulfur, and X can further be carbon, at least one of R 1 -R 4 is hydrogen, R 2 is hydrogen when X is nitrogen but is not present when X is sulfur or oxygen, R 4 is hydrogen when Y is nitrogen but is not present when Y is sulfur or oxygen, R 1 and R 3 are each independently a substituted or unsubstituted alkyl, haloalkyl, cycloalkyl, aryl, acyl, or heterocyclic, or being a metabolite or degradation product thereof.

  提供了可生物稳定的可溶性环氧酯酶抑制剂。这些抑制剂可以用于选择性地抑制环氧酯酶，例如在治疗炎症方面的治疗应用中使用，在环氧酯酶的亲和分离中使用以及在农业应用中使用。用于实施该发明的首选化合物类别具有公式1所示的结构，其中X和Y分别独立地是氮、氧或硫，X还可以是碳，R1-R4中至少有一个是氢，当X是氮时，R2是氢，但当X是硫或氧时，R2不存在，当Y是氮时，R4是氢，但当Y是硫或氧时，R4不存在，R1和R3各自独立地是取代或未取代的烷基、卤代烷基、环烷基、芳基、酰基或杂环基，或是其代谢产物或降解产物。
• INHIBITORS OF EPOXIDE HYDROLASES FOR THE TREATMENT OF INFLAMMATION
  申请人：Hammock D. Bruce

  公开号：US20070117782A1

  公开（公告）日：2007-05-24

  The invention provides compounds that inhibit epoxide hydrolase in therapeutic applications for treating hypertension. A preferred class of compounds for practicing the invention have the structure shown by Formula 1 wherein Z is oxygen or sulfur, W is carbon phosphorous or sulfur, X and Y is each independently nitrogen, oxygen, or sulfur, and X can further be carbon, at least one of R 1 -R 4 is hydrogen, R 2 is hydrogen when X is nitrogen but is not present when X is sulfur or oxygen, R 4 is hydrogen when Y is nitrogen but is not present when Y is sulfur or oxygen, R 1 and R 3 is each independently C 1 -C 20 substituted or unsubstituted alkyl, cycloalkyl, aryl, acyl, or heterocyclic.

  本发明提供了一些化合物，用于治疗高血压的治疗应用中，抑制环氧水解酶。实施本发明的优选化合物类别具有由式1所示的结构，其中Z为氧或硫，W为碳、磷或硫，X和Y各自独立地为氮、氧或硫，而X还可以是碳，R1-R4中至少有一个是氢，当X为氮时，R2为氢，但当X为硫或氧时，R2不存在，当Y为氮时，R4为氢，但当Y为硫或氧时，R4不存在，而R1和R3各自独立地为C1-C20取代或未取代的烷基、环烷基、芳基、酰基或杂环基。
• Epoxide hydrolase complexes and methods therewith
  申请人：The Regents of the University of California

  公开号：US06150415A1

  公开（公告）日：2000-11-21

  Biologically stable inhibitors of soluble epoxide hydrolases are provided. The inhibitors can be used, for example, to selectively inhibit epoxide hydrolase in therapeutic applications such as treating inflammation, for use in affinity separations of the epoxide hydrolases, and in agricultural applications. A preferred class of compounds for practicing the invention have the structure shown by Formula 1 ##STR1## wherein X and Y is each independently nitrogen, oxygen, or sulfur, and X can further be carbon, at least one of R.sub.1 -R.sub.4 is hydrogen, R.sub.2 is hydrogen when X is nitrogen but is not present when X is sulfur or oxygen, R.sub.4 is hydrogen when Y is nitrogen but is not present when Y is sulfur or oxygen, R.sub.1 and R.sub.3 are each independently a substituted or unsubstituted alkyl, haloalkyl, cycloalkyl, aryl, acyl, or heterocyclic, or being a metabolite or degradation product thereof.

  提供了生物稳定的可溶性环氧酶抑制剂。该抑制剂可用于选择性地抑制环氧酶，例如在治疗炎症中使用，在环氧酶的亲和分离中使用，以及在农业应用中使用。用于实施本发明的优选化合物类别具有公式1所示的结构 ##STR1## 其中X和Y各自独立地为氮、氧或硫，X可以进一步为碳，R.sub.1-R.sub.4中至少有一个为氢，当X为氮时，R.sub.2为氢，但当X为硫或氧时不存在，当Y为氮时，R.sub.4为氢，但当Y为硫或氧时不存在，R.sub.1和R.sub.3各自独立地为取代或未取代的烷基、卤代烷基、环烷基、芳香族、酰基或杂环族，或者是代谢物或降解产物。
• Inhibitors of epoxide hydrolases for the treatment of inflammation
  申请人：Hammock Bruce D

  公开号：US08815951B2

  公开（公告）日：2014-08-26

  The invention provides compounds that inhibit epoxide hydrolase in therapeutic applications for treating hypertension. A preferred class of compounds for practicing the invention have the structure shown by Formula 1 wherein Z is oxygen or sulfur, W is carbon phosphorous or sulfur, X and Y is each independently nitrogen, oxygen, or sulfur, and X can further be carbon, at least one of R1-R4 is hydrogen, R2 is hydrogen when X is nitrogen but is not present when X is sulfur or oxygen, R4 is hydrogen when Y is nitrogen but is not present when Y is sulfur or oxygen, R1 and R3 is each independently C1-C20 substituted or unsubstituted alkyl, cycloalkyl, aryl, acyl, or heterocyclic.

  本发明提供了一种抑制环氧酯水解酶的化合物，用于治疗高血压等治疗应用。本发明实施的优选化合物类别具有如公式1所示的结构，其中Z为氧或硫，W为碳、磷或硫，X和Y各自独立地为氮、氧或硫，且当X为碳时，X还可以进一步为碳；R1-R4中至少有一个为氢，当X为氮时，R2为氢，但当X为硫或氧时，R2不存在；当Y为氮时，R4为氢，但当Y为硫或氧时，R4不存在；R1和R3各自独立地为C1-C20取代或未取代的烷基、环烷基、芳基、酰基或杂环基。
• EPOXIDE HYDROLASE COMPLEXES AND METHODS THEREWITH
  申请人：THE REGENTS OF THE UNIVERSITY OF CALIFORNIA

  公开号：EP1154764A1

  公开（公告）日：2001-11-21