cis-2-hydroxy-1-methylcyclohexanecarboxylic acid

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: cis-2-hydroxy-1-methylcyclohexanecarboxylic acid
• 英文别名: (+/-)-2-Hydroxy-1-methylcyclohexanecarboxylic acid；2-hydroxy-1-methylcyclohexane-1-carboxylic acid
• 化学式: C₈H₁₄O₃
• 分子量: 158.197
• InChiKey: SUTIRHZOGNBYIH-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.4
• 重原子数：
  11
• 可旋转键数：
  1
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.88
• 拓扑面积：
  57.5
• 氢给体数：
  2
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  cis-2-hydroxy-1-methylcyclohexanecarboxylic acid 在 4-二甲氨基吡啶 、 三氯溴甲烷 、 N,N'-二异丙基碳二亚胺 作用下， 以 二氯甲烷 、 苯 为溶剂， 生成 trans-2-bromo-2-methylcylohexanol
  参考文献：
  名称：

  A New Regioselective Synthesis of Vicinal Bromohydrins via Free Radical Decarboxylative Bromination of β-Hydroxycarboxylic Acids

  摘要：

  二异丙基碳二亚胺介导的 N-羟基吡啶-2(1H)-硫酮和δ-羟基羧酸之间的缩合反应产生了混合酸酐，在中性条件下，混合酸酐被区域选择性地转化为邻位溴化氢。

  DOI：

  10.1055/s-2003-43379

文献信息

• [EN] COMBINATIONS OF HEPATITIS C VIRUS INHIBITORS<br/>[FR] ASSOCIATIONS D'INHIBITEURS DU VIRUS DE L'HÉPATITE C
  申请人：BRISTOL MYERS SQUIBB CO

  公开号：WO2015005901A1

  公开（公告）日：2015-01-15

  The present disclosure is generally directed to antiviral compounds, and more specifically directed to combinations of compounds which can inhibit the function of the NS5A protein encoded by Hepatitis C virus (HCV), compositions comprising such combinations, and methods for inhibiting the function of the NS5A protein.

  本公开涉及抗病毒化合物，更具体地涉及能够抑制由丙型肝炎病毒（HCV）编码的NS5A蛋白功能的化合物组合，包括这种组合的组合物，以及抑制NS5A蛋白功能的方法。
• Hepatitis C Virus Inhibitors
  申请人：Bristol-Myers Squibb Company

  公开号：US20150023913A1

  公开（公告）日：2015-01-22

  The present disclosure is generally directed to antiviral compounds, and more specifically directed to combinations of compounds which can inhibit the function of the NS5A protein encoded by Hepatitis C virus (HCV), compositions comprising such combinations, and methods for inhibiting the function of the NS5A protein.

  本公开涉及抗病毒化合物，更具体地涉及能够抑制由丙型肝炎病毒（HCV）编码的NS5A蛋白功能的化合物组合，包括这种组合的组成物，以及抑制NS5A蛋白功能的方法。
• Anti-Inflammatory Agents
  申请人：Grainger David J.

  公开号：US20100016286A1

  公开（公告）日：2010-01-21

  The invention provides compounds, pharmaceutical compositions and uses of compounds and salts thereof of general formula (I), for the preparation of a medicament for treatment of an inflammatory disorder, but excluding (S)-3-(r-methylcyclohexyl-carbonylamino)-caprolactam: wherein z is 1, 2, 3 or 4; A is —CO— or —SO2-; Q is linear or branched alkyl, alkenyl, alkynyl, alkoxy, oxyalkyl, aminoalkyl, alkylamino, alkylaminoalkyl, haloalkyl, aryl or substituted aryl; T 1 and T 2 together constitute a cycloalkyl, cycloalkenyl or polycycloalkyl radical composed of n additional carbon atoms, where n is between 2 and 7; and each hydrogen atom bonded to the carbon atoms in the ring generated by T 1 and T 2 may be independently be substituted by a group R 1 , where R 1 is independently selected from an alkyl, haloalkyl, alkoxy, haloalkoxy, alkenyl, alkynyl or alkylamino radical of 1 to 20 carbon atoms; or each R 1 is independently selected from fluoro, chloro, bromo, iodo, hydroxy, oxyalkyl, amino, aminoalkyl or aminodialkyl radical.

  本发明提供了一般式(I)的化合物、药物组合物及其盐的用途，用于制备治疗炎症性疾病的药物，但不包括(S)-3-(r-甲基环己烷甲酰氨基)-己内酯：其中，z为1、2、3或4；A为—CO—或—SO2-；Q为线性或支链烷基、烯基、炔基、烷氧基、氧烷基、氨基烷基、烷基氨基、烷基氨基烷基、卤代烷基、芳基或取代芳基；T1和T2共同构成由n个额外碳原子组成的环状烷基、环状烯基或多环烷基基团，其中n介于2和7之间；并且，T1和T2生成的环上的每个碳原子上的氢原子可以独立地被取代为R1基团，其中R1独立地选自具有1到20个碳原子的烷基、卤代烷基、烷氧基、卤代烷氧基、烯基、炔基或烷基氨基基团；或每个R1独立地选自氟、氯、溴、碘、羟基、氧烷基、氨基、氨基烷基或氨基二烷基基团。
• Cycloalkylamines as monoamine reuptake inhibitors
  申请人：Shao Liming

  公开号：US20070203111A1

  公开（公告）日：2007-08-30

  The invention relates to novel cyclohexylamine derivatives and their use in the treatment and/or prevention of central nervous system (CNS) disorders, such as depression, anxiety, schizophrenia and sleep disorder as well as methods for their synthesis. The invention also relates to pharmaceutical compositions containing the compounds of the invention, as well as methods of inhibiting reuptake of endogenous monoamines, such as dopamine, serotonin and norepinephrine from the synaptic cleft and methods of modulating one or more monoamine transporter.

  本发明涉及新型环己胺衍生物及其在中枢神经系统（CNS）疾病的治疗和/或预防中的应用，例如抑郁症、焦虑症、精神分裂症和睡眠障碍，以及它们的合成方法。本发明还涉及包含本发明化合物的制药组合物，以及抑制内源性单胺，如多巴胺、5-羟色胺和去甲肾上腺素从突触间隙中再摄取的方法和调节一个或多个单胺转运体的方法。
• ANTI-INFLAMMATORY AGENTS
  申请人：Grainger David J.

  公开号：US20110003792A1

  公开（公告）日：2011-01-06

  The invention provides compounds, pharmaceutical compositions and uses of compounds and salts thereof of general formula (I), for the preparation of a medicament for treatment of an inflammatory disorder, but excluding (S)-3-(1′-methylcyclohexylcarbonylamino)-caprolactam: wherein z is 1, 2, 3 or 4; A is —CO— or —SO 2 —; Q is linear or branched alkyl, alkenyl, alkynyl, alkoxy, oxyalkyl, aminoalkyl, alkylamino, alklylaminoalkyl, haloalkyl, aryl or substituted aryl; T 1 and T 2 together constitute a cycloalkyl, cycloalkenyl or polycycloalkyl radical composed of n additional carbon atoms, where n is between 2 and 7; and each hydrogen atom bonded to the carbon atoms in the ring generated by T 1 and T 2 may be independently be substituted by a group R 1 , where R 1 is independently selected from an alkyl, haloalkyl, alkoxy, haloalkoxy, alkenyl, alkynyl or alkylamino radical of 1 to 20 carbon atoms; or each R 1 is independently selected from fluoro, chloro, bromo, iodo, hydroxy, oxyalkyl, amino, aminoalkyl or aminodialkyl radical.

  本发明提供了通式（I）的化合物、药物组合物及其盐的用途，用于制备治疗炎症性疾病的药物，但不包括（S）-3-（1'-甲基环己基羰基氨基）-己内酯：其中z为1、2、3或4；A为—CO—或—SO2—；Q为线性或支链烷基、烯基、炔基、烷氧基、氧烷基、氨基烷基、烷基氨基、烷基氨基烷基、卤代烷基、芳基或取代芳基；T1和T2共同构成由n个额外碳原子组成的环烷基、环烯基或多环烷基基团，其中n介于2和7之间；而且T1和T2生成的环上每个与碳原子相连的氢原子可以独立地被取代为R1基团，其中R1独立地选自1到20个碳原子的烷基、卤代烷基、烷氧基、卤代烷氧基、烯基、炔基或烷基氨基基团；或每个R1独立地选自氟、氯、溴、碘、羟基、氧烷基、氨基、氨基烷基或氨基二烷基基团。