S-cyclohexyl N-cyclohexylcarbamothioate

• 分子结构分类: 有机化合物 - 有机硫化合物 - 硫代羰基化合物
• 英文名称: S-cyclohexyl N-cyclohexylcarbamothioate
• 化学式: C₁₃H₂₃NOS
• 分子量: 241.39
• InChiKey: MMLUCGIQBBTOTM-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.1
• 重原子数：
  16
• 可旋转键数：
  3
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.92
• 拓扑面积：
  54.4
• 氢给体数：
  1
• 氢受体数：
  2

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：EP1844767A2

  公开（公告）日：2007-10-17

  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 practising the invention have the structure shown by Formula I wherein 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 are each independently a substituted or unsubstituted alkyl, haloalkyl, cycloakyl, aryl, acyl, or heterocyclic, or being a metabolite or degradation product thereof.

  本研究提供了可溶性环氧化物水解酶的生物稳定抑制剂。这些抑制剂可用于选择性地抑制环氧化物水解酶，例如治疗炎症、用于环氧化物水解酶的亲和分离以及农业应用。用于实施本发明的一类优选化合物具有式 I 所示的结构 其中 X 和 Y 各自独立地是氮、氧或硫，X 还可以是碳，R1-R4 中至少有一个是氢，R2 在 X 是氮时是氢，但在 X 是硫或氧时不存在、R1 和 R3 各自独立地为取代或未取代的烷基、卤代烷基、环烷基、芳基、酰基或杂环基，或其代谢物或降解产物。
• 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
• USE OF EPOXIDE HYDROLASE COMPLEXES FOR TREATING HYPERTENSION
  申请人：The Regents of the University of California

  公开号：EP1154764B1

  公开（公告）日：2007-10-10