1-methylcyclohexane-1,4-dicarboxylic acid | 73845-87-1

• 分子结构分类: 有机化合物 - 有机酸及其衍生物 - 羧酸及其衍生物
• 英文名称: 1-methylcyclohexane-1,4-dicarboxylic acid
• CAS: 73845-87-1
• 化学式: C₉H₁₄O₄
• 分子量: 186.208
• InChiKey: NVRCFFIBPIEYQT-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.9
• 重原子数：
  13
• 可旋转键数：
  2
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.78
• 拓扑面积：
  74.6
• 氢给体数：
  2
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  1-methylcyclohexane-1,4-dicarboxylic acid 在 4-二甲氨基吡啶 、 potassium carbonate 、 叔丁醇 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 反应 30.0h， 生成 (1r,4r)-1-benzyl 4-tert-butyl 1-methylcyclohexane-1,4-dicarboxylate
  参考文献：
  名称：

  PYRROLIDINYL SULFONE RORGAMMA MODULATORS

  摘要：

  描述了公式（I）的RORγ调节剂，或其立体异构体、互变异构体、药物可接受的盐、溶剂化物或前药，其中所有取代基都在此定义。还提供了包含相同成分的药物组合物。这类化合物和组合物在调节细胞中RORγ活性的方法和治疗受疾病或紊乱困扰的主体中是有用的，例如，主体将从调节RORγ活性中获益的自免疫和/或炎症紊乱。

  公开号：

  US20150191483A1
• 作为产物：
  描述：

  1,4-环己烷二羧酸二甲酯 在 lithium diisopropyl amide 作用下， 以 四氢呋喃 、 甲醇 为溶剂， 生成 1-methylcyclohexane-1,4-dicarboxylic acid
  参考文献：
  名称：

  Identification of potent, selective and orally bioavailable phenyl ((R)-3-phenylpyrrolidin-3-yl)sulfone analogues as RORγt inverse agonists

  摘要：

  An X-ray crystal structure of one of our previously discovered ROR gamma t inverse agonists bound to the ROR gamma t ligand binding domain revealed that the cyclohexane carboxylic acid group of compound 2 plays a significant role in ROR gamma t binding, forming four hydrogen bonding and ionic interactions with ROR gamma t. SAR studies centered around the cyclohexane carboxylic acid group led to identification of several structurally diverse and more potent compounds, including new carboxylic acid analogues 7 and 20, and cyclic sulfone analogues 34 and 37. Notably, compounds 7 and 20 were found to maintain the desirable pharmacokinetic profile of 2.

  DOI：

  10.1016/j.bmcl.2019.06.036

文献信息

• [EN] BICYCLIC HETEROARYL COMPOUNDS USEFUL AS INHIBITORS OF THE PAR-2 SIGNALING PATHWAY<br/>[FR] COMPOSÉS HÉTÉROARYLE BICYCLIQUES UTILES EN TANT QU'INHIBITEURS DE LA VOIE DE SIGNALISATION PAR-2
  申请人：VERTEX PHARMA

  公开号：WO2016154075A1

  公开（公告）日：2016-09-29

  The compounds of formula I, wherein the variables are as defined herein, and pharmaceutically acceptable salts thereof are useful as inhibitors of the PAR-2 signaling pathway. The compounds of formula I and pharmaceutically acceptable compositions comprising such compounds can be employed for treating various diseases, disorders, and conditions.

  式I的化合物，其中变量如本文所定义，并且其药学上可接受的盐可用作PAR-2信号通路的抑制剂。式I的化合物和包含这些化合物的药学上可接受的组合物可用于治疗各种疾病、疾病和症状。
• [EN] FURO[3,2-B]PYRIDINE COMPOUNDS USEFUL AS INHIBITORS OF THE PAR-2 SIGNALING PATHWAY<br/>[FR] COMPOSÉS FURO[3,2-B]PYRIDINE UTILES EN TANT QU'INHIBITEURS DE LA VOIE DE SIGNALISATION PAR-2
  申请人：VERTEX PHARMA

  公开号：WO2018057588A1

  公开（公告）日：2018-03-29

  Disclosed are chemical entities which are compounds of Formula (I): (I) and pharmaceutically acceptable salts thereof, wherein A, R1, R2, E, n and Z are as defined herein. These chemical entities are useful as inhibitors of the PAR-2 signaling pathway. These chemical entities and pharmaceutically acceptable compositions comprising such chemical entities can be employed for treating various diseases, disorders, and conditions.

  公开了式(I)的化合物及其药用可接受的盐，其中A，R1，R2，E，n和Z定义如本文中。这些化学实体作为PAR-2信号通路的抑制剂是有用的。这些化学实体和包含这些化学实体的药用可接受组合物可用于治疗各种疾病、障碍和状况。
• Modified water
  作者：Alex M. Andrew

  DOI：10.1108/03684920110363914

  日期：2001.2.1

  Discusses the phenomenon of biological effects of homeopathic “high potencies” and reviews recent literature on the subject.

  讨论了顺势疗法“高倍”在生物学效应方面的现象，并回顾了该主题的最新文献。
• Diacylglycerol Acyltransferase Inhibitors
  申请人：Bolin David Robert

  公开号：US20090093497A1

  公开（公告）日：2009-04-09

  Provided herein are compounds of the formula (I): as well as pharmaceutically acceptable salts thereof, wherein the substituents are as those disclosed in the specification. These compounds, and the pharmaceutical compositions containing them, are useful for the treatment of diseases such as, for example, obesity, type II diabetes mellitus and metabolic syndrome.

  本文提供的是公式(I)的化合物，以及其药物可接受的盐，其中取代基如规范中所述。这些化合物和含有它们的药物组合物对于治疗疾病，例如肥胖症、2型糖尿病和代谢综合征是有用的。
• Reactive polymer-supporting porous film for battery seperator and use thereof
  申请人：Uetani Yoshihiro

  公开号：US20060257727A1

  公开（公告）日：2006-11-16

  The invention provides a reactive polymer-supporting porous film for use as a battery separator which comprises a porous substrate film and a partially crosslinked reactive polymer supported on the porous substrate film, the partially crosslinked reactive polymer being obtained by the reaction of a crosslinkable polymer having at least one reactive group selected from the group consisting of 3-oxetanyl group and epoxy group in the molecule with a polycarboxylic acid. The reactive polymer-supporting porous film for use as a battery separator has a separator and electrodes sufficiently bonded to each other and low inner resistance so that it is suitably used for production of battery excellent in high rate performance. Further, the invention provides a method of producing a battery which comprises placing the electrode/reactive polymer-supporting porous film layered body in a battery container; introducing an electrolytic solution containing a cationic polymerization catalyst into the battery container thereby bonding the porous film and the electrodes together.

  本发明提供一种反应性聚合物支持多孔膜，用于作为电池隔膜，包括多孔基底膜和部分交联的反应性聚合物支持在多孔基底膜上，所述部分交联的反应性聚合物是通过交联性聚合物与多羧酸反应而得到的，所述交联性聚合物在分子中至少具有3-氧杂环基团和环氧基团中的一种反应性基团。作为电池隔膜使用的反应性聚合物支持多孔膜，具有足够紧密结合的隔膜和电极以及低内阻，因此适用于生产高速性能优异的电池。此外，本发明还提供一种电池的制造方法，其中包括将电极/反应性聚合物支持多孔膜层状体放置在电池容器中；向电池容器中引入含有阳离子聚合催化剂的电解液，从而将多孔膜和电极粘合在一起。