bis-[2-(1-methylcyclohexanecarbonylamino)phenyl]disulfide | 211513-18-7

• 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: bis-[2-(1-methylcyclohexanecarbonylamino)phenyl]disulfide
• 英文别名: N,N'-(dithiodi-2,1-phenylene)bis[1-methyl-cyclohexanecarboxamide]；1-methyl-N-[2-[[2-[(1-methylcyclohexanecarbonyl)amino]phenyl]disulfanyl]phenyl]cyclohexane-1-carboxamide
• CAS: 211513-18-7
• 化学式: C₂₈H₃₆N₂O₂S₂
• 分子量: 496.738
• InChiKey: CPHKBJBFYKJFHT-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  7.3
• 重原子数：
  34
• 可旋转键数：
  7
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.5
• 拓扑面积：
  109
• 氢给体数：
  2
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  bis-[2-(1-methylcyclohexanecarbonylamino)phenyl]disulfide 在 水 、 三苯基膦 作用下， 以 1,4-二氧六环 为溶剂， 反应 1.0h， 生成 N-(2-mercaptophenyl)-1-methylcyclohexanecarboxamide
  参考文献：
  名称：

  Bis(2-(Acylamino)phenyl) Disulfides, 2-(Acylamino)benzenethiols, and S-(2-(Acylamino)phenyl) Alkanethioates as Novel Inhibitors of Cholesteryl Ester Transfer Protein

  摘要：

  A series of bis(2-(acylamino)phenyl) disulfides, 2-(acylamino)benzenethiols, S-(2-(acylamino)phenyl) alkanethioates, and related compounds were synthesized, and their inhibitory effect on cholesteryl ester transfer protein activity in human plasma was evaluated. This study elucidated the structural requirements for inhibitory activity and determined that the optimum compound was S-(2-((1-(2-ethylbutyl)cyclohexane)carbonylamino)phenyl) 2-methylpropanethioate (27) (JTT-705). This compound achieved 50% inhibition of CETP activity in human plasma at a concentration of 9 mu M and 95% inhibition of CETP activity in male Japanese white rabbits at an oral dose of 30 mg/kg. It increased the plasma HDL cholesterol level by 27% and 54%, respectively, when given at oral doses of 30 or 100 mg/kg once a day for 3 days to male Japanese white rabbits.

  DOI：

  10.1021/jm000224s
• 作为产物：
  描述：

  1-甲基环己烷羧酸 在 吡啶 、 草酰氯 作用下， 以 二氯甲烷 为溶剂， 反应 2.0h， 生成 bis-[2-(1-methylcyclohexanecarbonylamino)phenyl]disulfide
  参考文献：
  名称：

  Bis(2-(Acylamino)phenyl) Disulfides, 2-(Acylamino)benzenethiols, and S-(2-(Acylamino)phenyl) Alkanethioates as Novel Inhibitors of Cholesteryl Ester Transfer Protein

  摘要：

  A series of bis(2-(acylamino)phenyl) disulfides, 2-(acylamino)benzenethiols, S-(2-(acylamino)phenyl) alkanethioates, and related compounds were synthesized, and their inhibitory effect on cholesteryl ester transfer protein activity in human plasma was evaluated. This study elucidated the structural requirements for inhibitory activity and determined that the optimum compound was S-(2-((1-(2-ethylbutyl)cyclohexane)carbonylamino)phenyl) 2-methylpropanethioate (27) (JTT-705). This compound achieved 50% inhibition of CETP activity in human plasma at a concentration of 9 mu M and 95% inhibition of CETP activity in male Japanese white rabbits at an oral dose of 30 mg/kg. It increased the plasma HDL cholesterol level by 27% and 54%, respectively, when given at oral doses of 30 or 100 mg/kg once a day for 3 days to male Japanese white rabbits.

  DOI：

  10.1021/jm000224s

文献信息

• CETP inhibitors in combination with antihypertensive agents and uses thereof
  申请人：Pfizer Inc.

  公开号：US20040039018A1

  公开（公告）日：2004-02-26

  This invention relates to pharmaceutical combinations of a cholesteryl ester transfer protein (CETP) inhibitor or a pharmaceutically acceptable salt thereof; and an antihypertensive agent or a pharmaceutically acceptable salt thereof, optionally in combination with an HMG CoA reductase inhibitor or a pharmaceutically acceptable salt thereof, kits containing such combinations and methods of using such combinations to treat subjects suffering from atherosclerosis, peripheral vascular disease, dyslipidemia, hyperbetaliproteinemia, hypoalphalipoproteinemia, hypercholesterolemia, hypertriglyceridemia, familial-hypercholesterolemia, cardiovascular disorders, angina, ischemia, cardiac ischemia, stroke, myocardial infarction, reperfusion injury, angioplastic restenosis, hypertension, vascular complications of diabetes, obesity or endotoxemia in a mammal (including a human being either male or female).

  本发明涉及一种胆固醇酯转移蛋白（CETP）抑制剂或其药学上可接受的盐与降压药剂或其药学上可接受的盐的药物组合，可选地与HMG CoA还原酶抑制剂或其药学上可接受的盐的药物组合，包含这种组合的套件以及使用这种组合治疗患有动脉粥样硬化、外周血管疾病、血脂异常、高β脂蛋白血症、低α脂蛋白血症、高胆固醇血症、高三酰甘油血症、家族性高胆固醇血症、心血管疾病、心绞痛、缺血、心肌缺血、中风、心肌梗死、再灌注损伤、血管成形术再狭窄、高血压、糖尿病血管并发症、肥胖或内毒素血症的哺乳动物（包括男性或女性人类）的使用方法。
• Methods of treatment with CETP inhibitors and antihypertensive agents
  申请人：Pfizer Inc.

  公开号：US20040053842A1

  公开（公告）日：2004-03-18

  This invention relates to cholesterol ester transfer protein (CETP) inhibitors, pharmaceutical compositions containing such inhibitors, and the use of such inhibitors to treat certain disease/conditions optionally in combination with certain therapeutic agents e.g., antihypertensive agents.

  本发明涉及胆固醇酯转移蛋白（CETP）抑制剂，含有这种抑制剂的药物组合物，以及使用这种抑制剂治疗某些疾病/症状，可选择性地与某些治疗药物如降压药物结合使用。
• CETP activity inhibitors
  申请人：Japan Tobacco Inc.

  公开号：US20040229957A1

  公开（公告）日：2004-11-18

  The present invention provides a CETP activity inhibitor comprising as an active ingredient a compound represented by the formula (I): 1 wherein R represents a straight chain or branched alkyl group; a straight chain or branched alkenyl group; a lower haloalkyl group; a substituted or unsubstituted cycloalkyl group; a substituted or unsubstituted cycloalkenyl group; a substituted or unsubstituted cycloalkylalkyl group; a substituted or unsubstituted aryl group, or a substituted or unsubstituted heterocyclic group, X 1 , X 2 , X 3 , and X 4 may be the same or different and each represents a hydrogen atom, a halogen atom, a lower alkyl group, a lower haloalkyl group; a lower alkoxy group; a cyano group; a nitro group; an acyl group; or an aryl group, Y represents —CO— or —SO 2 —, and Z represents a hydrogen atom or a mercapto-protecting group, or a prodrug compound, a pharmaceutically acceptable salt, or hydrate or solvate thereof. The compounds represented by the formula (I) can increase HDL and at the same time decrease LDL through selective inhibition of CETP activity and, therefore, is expected to be useful as a new type of a preventive or therapeutic agent for atherosclerosis or hyperlipidemia.

  本发明提供了一种CETP活性抑制剂，其包括以下式（I）所表示的化合物作为活性成分：其中R表示直链或支链烷基；直链或支链烯基；低卤代烷基；取代或未取代的环烷基；取代或未取代的环烯基；取代或未取代的环烷基烷基；取代或未取代的芳基或取代或未取代的杂环基，X1，X2，X3和X4可以相同也可以不同，每个表示氢原子，卤原子，低烷基，低卤代烷基；低烷氧基；氰基；硝基；酰基；或芳基，Y表示—CO—或—SO2—，Z表示氢原子或硫醇保护基，或其前药化合物，药学上可接受的盐，或其水合物或溶剂化物。公式（I）所表示的化合物可以通过选择性抑制CETP活性来增加HDL并同时降低LDL，因此，预计它将作为一种新型的预防或治疗动脉硬化或高脂血症的药物而有用。
• CETP ACTIVITY INHIBITORS
  申请人：Shinkai Hisashi

  公开号：US20130053417A1

  公开（公告）日：2013-02-28

  The invention provides a compound that is a CETP activity inhibitor. The compound can increase HDL and at the same time decrease LDL through selective inhibition of CETP activity, the invention also provides for the use of the compound to prevent or treat atherosclerosis or hyperlipidemia.

  本发明提供了一种CETP活性抑制剂的化合物。该化合物可以通过选择性抑制CETP活性来增加HDL并同时降低LDL，本发明还提供了使用该化合物预防或治疗动脉粥样硬化或高脂血症的方法。
• CETP activity inhibitor
  申请人：Japan Tobacco, Inc., a Japan Corporation

  公开号：US20030092708A1

  公开（公告）日：2003-05-15

  The present invention provides a CETP activity inhibitor comprising as an active ingredient a compound represented by the formula (I): 1 wherein R represents a straight chain or branched alkyl group; a straight chain or branched alkenyl group; a lower haloalkyl group; a substituted or unsubstituted cycloalkyl group; a substituted or unsubstituted cycloalkenyl group; a substituted or unsubstituted cycloalkylalkyl group; a substituted or unsubstituted aryl group, or a substituted or unsubstituted heterocyclic group, X 1 , X 2 , X 3 , and X 4 may be the same or different and each represents a hydrogen atom, a halogen atom, a lower alkyl group, a lower haloalkyl group; a lower alkoxy group; a cyano group; a nitro group; an acyl group; or an aryl group, Y represents —CO— or —SO 2 —, and Z represents a hydrogen atom or a mercapto-protecting group, or a prodrug compound, a pharmaceutically acceptable salt, or hydrate or solvate thereof. The compounds represented by the formula (I) can increase HDL and at the same time decrease LDL through selective inhibition of CETP activity and, therefore, is expected to be useful as a new type of a preventive or therapeutic agent for atherosclerosis or hyperlipidemia.

  本发明提供了一种CETP活性抑制剂，其作为活性成分包含由式（I）表示的化合物：1其中R表示直链或支链烷基；直链或支链烯基；低卤代烷基；取代或未取代的环烷基；取代或未取代的环烯基；取代或未取代的环烷基烷基；取代或未取代的芳基或取代或未取代的杂环基，X1、X2、X3和X4可以相同也可以不同，每个表示氢原子、卤原子、低烷基、低卤代烷基、低烷氧基、氰基、硝基、酰基或芳基，Y表示—CO—或—SO2—，Z表示氢原子或巯基保护基，或其前药化合物、药学上可接受的盐、水合物或溶剂化物。由式（I）表示的化合物可以通过选择性抑制CETP活性来增加HDL并同时降低LDL，因此预计可用作新型的动脉粥样硬化或高脂血症的预防或治疗剂。