trans-4-phenylcyclohexanecarboxylic acid | 1466-73-5

• 物质功能分类: 医药中间体 - 原料药中间体
• 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: trans-4-phenylcyclohexanecarboxylic acid
• 英文别名: trans-4-phenyl-1-cyclohexanecarboxylic acid；trans-4-phenylcyclohexane-1-carboxylic acid；trans-4-phenylcyclohexane carboxylic acid；acido trans-4-fenilcicloesancarbonico；trans-4-phenyl-cyclohexanecarboxylic acid；trans-4-Phenyl-cyclohexancarbonsaeure
• CAS: 1466-73-5
• 化学式: C₁₃H₁₆O₂
• 分子量: 204.269
• InChiKey: SYYSTPDYCASVSQ-HAQNSBGRSA-N

物化性质

• 熔点：
  203-205℃
• 沸点：
  360.0±31.0 °C(Predicted)
• 密度：
  1.116±0.06 g/cm3 (20 ºC 760 Torr)
• 溶解度：
  少许溶于甲醇

计算性质

• 辛醇/水分配系数(LogP)：
  3.05
• 重原子数：
  15.0
• 可旋转键数：
  2.0
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.46
• 拓扑面积：
  37.3
• 氢给体数：
  1.0
• 氢受体数：
  1.0

反应信息

• 作为反应物：
  描述：

  trans-4-phenylcyclohexanecarboxylic acid 在 palladium on barium sulfate 氯化亚砜 、 氢气 作用下， 生成 trans-4-Phenyl-cyclohexylacrylsaeure-anilid
  参考文献：
  名称：

  CARISSIMI; CATTANEO; D AMBROSIO, Farmaco, Edizione Scientifica, 1965, vol. 20, p. 106 - 119

  摘要：

  DOI：
• 作为产物：
  描述：

  4-苯基苯甲酸 在 异戊醇 、 sodium 作用下， 生成 trans-4-phenylcyclohexanecarboxylic acid
  参考文献：
  名称：

  4-(p-Hydroxyphenyl)-hexahydroacetophenone and Homologs

  摘要：

  DOI：

  10.1021/ja01223a001

文献信息

• ARYL-CYCLOHEXYL-TETRAAZABENZO[E]AZULENES
  申请人：Dolente Cosimo

  公开号：US20110245237A1

  公开（公告）日：2011-10-06

  The present invention is concerned with aryl-cyclohexyl-tetraazabenzo[e]azulenes of formula I wherein R 1 , R 2 and R 3 are as described herein. The invention further provides methods for the manufacture of such compounds and pharmaceutical compositions containing them. The compounds according to the invention act as V1a receptor modulators, and in particular as V1a receptor antagonists. The compounds are useful as therapeutics acting peripherally and centrally in the conditions of dysmenorrhea, male or female sexual dysfunction, hypertension, chronic heart failure, inappropriate secretion of vasopressin, liver cirrhosis, nephrotic syndrome, anxiety, depressive disorders, obsessive compulsive disorder, autistic spectrum disorders, schizophrenia, and aggressive behavior.

  本发明涉及式I的芳基-环己基-四氮杂苯并[e]吲哚类化合物 其中R1，R2和R3如本文所述。本发明进一步提供了制造此类化合物的方法和包含它们的药物组合物。根据发明的化合物作为V1a受体调节剂，特别是作为V1a受体拮抗剂。这些化合物作为治疗剂在周围和中枢条件下对痛经、男性或女性性功能障碍、高血压、慢性心力衰竭、血管加压素分泌不当、肝硬化、肾病综合征、焦虑、抑郁障碍、强迫症、孤独症谱系障碍、精神分裂症和攻击性行为是有用的。
• [EN] ARYL-CYCLOHEXYL-TETRAAZABENZO[E]AZULENES<br/>[FR] ARYL-CYCLOHEXYL-TÉTRAAZABENZO[E]AZULÈNES
  申请人：HOFFMANN LA ROCHE

  公开号：WO2011120877A1

  公开（公告）日：2011-10-06

  The present invention is concerned with aryl-cyclohexyl-tetraazabenzo[e]azulenes of formula I, wherein R1, R2 and R3 are as described herein. The compounds according to the invention act as Via receptor modulators, and in particular as Via receptor antagonists, their manufacture, pharmaceutical compositions containing them and their use as medicaments. The active compounds of the present invention are useful as therapeutics acting peripherally and centrally in the conditions of dysmenorrhea, male or female sexual dysfunction, hypertension, chronic heart failure, inappropriate secretion of vasopressin, liver cirrhosis, nephrotic syndrome, anxiety, depressive disorders, obsessive compulsive disorder, autistic spectrum disorders, schizophrenia, and aggressive behavior.

  本发明涉及式I的芳基-环己基-四氮杂苯并[e]吲哚类化合物，其中R1，R2和R3如本文所述。根据发明的化合物作为Via受体调节剂，特别是作为Via受体拮抗剂，它们的制造，含有它们的药物组合物以及它们作为药物的使用。本发明的活性化合物作为治疗剂，在痛经、男性或女性性功能障碍、高血压、慢性心力衰竭、不适当的血管升压素分泌、肝硬化、肾病综合征、焦虑、抑郁障碍、强迫症、孤独症谱系障碍、精神分裂症和攻击性行为的条件中，在周围和中心部位发挥作用。
• THERAPEUTIC AGENT FOR DIABETES
  申请人：Japan Tobacco Inc.

  公开号：EP0885869A1

  公开（公告）日：1998-12-23

  A therapeutic agent for diabetes, which comprises a compound of the formula [I] wherein Xis a group of the formula wherein R4 and R5 are the same or different and each is a hydrogen atom, an optionally substituted alkyl having 1 to 5 carbon atoms and the like, and R6 is a hydrogen atom or an amino-protecting group; R1 is an optionally substituted alkyl having 1 to 5 carbon atoms, an optionally substituted alkenyl having 2 to 6 carbon atoms and the like, R2 is a hydrogen atom, an optionally substituted alkyl having 1 to 5 carbon atoms and the like, R2' is a hydrogen atom, and R3 is an optionally substituted alkyl having 1 to 5 carbon atoms and the like, a prodrug thereof, a pharmaceutically acceptable salt thereof, a hydrate thereof and a solvate thereof. The compound of the present invention shows superior blood sugar decreasing action on the state of hyperglycemia, but does not affect the blood sugar when it is in the normal range or in the hypoglycemic state, which means that it is free of serious side effects such as hypoglycemia. Therefore, the compound of the present invention is useful as a therapeutic drug for diabetes and also useful as a preventive of the chronic complications of diabetes.

  用于治疗糖尿病的疗法剂，包括公式[I]的化合物 其中 X是公式的组 其中R4和R5相同或不同，每个都是氢原子，可选地取代的具有1至5个碳原子的烷基等等，R6是氢原子或氨基保护基团；R1是具有1至5个碳原子的可选取代烷基，具有2至6个碳原子的可选取代烯基等等，R2是氢原子，具有1至5个碳原子的可选取代烷基等等，R2'是氢原子，R3是具有1至5个碳原子的可选取代烷基等等，其前药，药用可接受盐，水合物和溶剂化物。 本发明的化合物在血糖升高状态下表现出优越的降血糖作用，但在正常范围或低血糖状态下不影响血糖，这意味着它没有低血糖等严重副作用。因此，本发明的化合物作为治疗糖尿病的药物很有用，也用作预防糖尿病慢性并发症。
• [EN] PYRIMIDINE CYCLOHEXYL GLUCOCORTICOID RECEPTOR MODULATORS<br/>[FR] MODULATEURS DE RÉCEPTEURS DE GLUCOCORTICOÏDES DE TYPE PYRIMIDINE CYCLOHEXYLE
  申请人：CORCEPT THERAPEUTICS INC

  公开号：WO2012129074A1

  公开（公告）日：2012-09-27

  The present invention provides a class of pyrimidinedione cyclohexyl compounds and methods of using these compounds as glucocorticoid receptor modulators.

  本发明提供了一类吡啶二酮环己基化合物以及将这些化合物用作糖皮质激素受体调节剂的方法。
• Structure-Based Design of β5c Selective Inhibitors of Human Constitutive Proteasomes
  作者：Bo-Tao Xin、Gerjan de Bruin、Eva M. Huber、Andrej Besse、Bogdan I. Florea、Dmitri V. Filippov、Gijsbert A. van der Marel、Alexei F. Kisselev、Mario van der Stelt、Christoph Driessen、Michael Groll、Herman S. Overkleeft

  DOI：10.1021/acs.jmedchem.6b00705

  日期：2016.8.11

  reports the development of highly potent and selective inhibitors of the β5c catalytic activity of human constitutive proteasomes. The work describes the design principles, large hydrophobic P3 residue and small hydrophobic P1 residue, that led to the synthesis of a panel of peptide epoxyketones; their evaluation and the selection of the most promising compounds for further analyses. Structure–activity

  这项工作报告了人类组成型蛋白酶体β5c催化活性的高效和选择性抑制剂的发展。该工作描述了设计原理，即大疏水性P3残基和小疏水性P1残基，这些原理导致合成了一组肽环氧基酮；他们的评估和最有希望的化合物的选择，以进行进一步的分析。构效关系详细说明了随着化合物逐步多样化，β1c/ i，β2c/ i和β5i活性如何对抑制产生抗性。以顺式和反式的混合物形式获得了最有效的化合物-双环己基异构体和对映选择性合成解决了这个问题。与某些化合物复合的酵母蛋白酶体结构的研究为效力和特异性提供了理论依据。用最有效的化合物中的N末端替代更易溶的等同物会导致细胞渗透性分子选择性地和有效地阻断表达组成型蛋白酶体和免疫蛋白酶体的细胞中的β5c。