ethyl 4-(methoxymethoxy)cyclohexanecarboxylate | 146943-88-6

• 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: ethyl 4-(methoxymethoxy)cyclohexanecarboxylate
• 英文别名: ethyl 4-methoxymethyloxycyclohexanecarboxylate；4-methoxymethoxy-cyclohexanecarboxylic acid ethyl ester；ethyl 4-(methoxymethoxy)cyclohexane-1-carboxylate
• CAS: 146943-88-6
• 化学式: C₁₁H₂₀O₄
• 分子量: 216.277
• InChiKey: FKULPVKPKUIFHX-UHFFFAOYSA-N

物化性质

• 沸点：
  262.7±30.0 °C(Predicted)
• 密度：
  1.03±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  1.5
• 重原子数：
  15
• 可旋转键数：
  6
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.91
• 拓扑面积：
  44.8
• 氢给体数：
  0
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  ethyl 4-(methoxymethoxy)cyclohexanecarboxylate 在 sodium hydroxide 作用下， 以 四氢呋喃 、 水 为溶剂， 以83%的产率得到4-(Methoxymethoxy)cyclohexane-1-carboxylic acid
  参考文献：
  名称：

  Development of Fluorinated Analogues of Perhexiline with Improved Pharmacokinetic Properties and Retained Efficacy

  摘要：

  We designed and synthesized perhexiline analogues that have the same therapeutic profile as the parent cardiovascular drug but lacking its metabolic liability associated with CYP2D6 metabolism. Cycloalkyl perhexiline analogues 6a-j were found to be unsuitable for further development, as they retained a pharmacokinetic profile very similar to that shown by the parent compound. Multistep synthesis of perhexiline analogues incorporating fluorine atoms onto the cyclohexyl ring(s) provided a range of different fluoroperhexiline analogues. Of these, analogues 50 (4,4-gem-difluoro) and 62 (4,4,4',4'-tetrafluoro) were highly stable and showed greatly reduced susceptibility to CYP2D6-mediated metabolism. In vitro efficacy studies demonstrated that a number of derivatives retained acceptable potency against CPT-1. Having the best balance of properties, 50 was selected for further evaluation. Like perhexiline, it was shown to be selectively concentrated in the myocardium and, using the Langendorff model, to be effective in improving both cardiac contractility and relaxation when challenged with high fat buffer.

  DOI：

  10.1021/acs.jmedchem.6b01592
• 作为产物：
  描述：

  4-羟基环己烷甲酸乙酯 、 氯甲基甲基醚 在 N,N-二异丙基乙胺 作用下， 生成 ethyl 4-(methoxymethoxy)cyclohexanecarboxylate
  参考文献：
  名称：

  Heterocylic antiviral compounds

  摘要：

  这项发明涉及式I的哌啶衍生物，其中R1、R2、R3和R4如本文所定义，在治疗各种疾病中有用，包括那些涉及CCR5受体调节的疾病。目前这些衍生物可以治疗或预防的疾病包括HIV和遗传相关的逆转录病毒感染（以及由此导致的获得性免疫缺陷综合症，艾滋病），类风湿性关节炎，固体器官移植排斥（移植物抗宿主病），哮喘和慢性阻塞性肺病（COPD）。

  公开号：

  US20080249087A1

文献信息

• Heterocylic antiviral compounds
  申请人：Rotstein David Mark

  公开号：US20080249087A1

  公开（公告）日：2008-10-09

  This invention relates to piperidine derivatives of formula I wherein R 1 , R 2 , R 3 and R 4 are as defined herein useful in the treatment of a variety of disorders, including those in which the modulation of CCR5 receptors is implicated. Disorders that may be treated or prevented by the present derivatives include HIV and genetically related retroviral infections (and the resulting acquired immune deficiency syndrome, AIDS), rheumatoid arthritis, solid organ transplant reject (graft vs. host disease), asthma and COPD.

  这项发明涉及式I的哌啶衍生物，其中R1、R2、R3和R4如本文所定义，在治疗各种疾病中有用，包括那些涉及CCR5受体调节的疾病。目前这些衍生物可以治疗或预防的疾病包括HIV和遗传相关的逆转录病毒感染（以及由此导致的获得性免疫缺陷综合症，艾滋病），类风湿性关节炎，固体器官移植排斥（移植物抗宿主病），哮喘和慢性阻塞性肺病（COPD）。
• 8-(oxo-substituted cycloalkyl)xanthines
  申请人：Marion Merrell Dow Inc.

  公开号：US05175290A1

  公开（公告）日：1992-12-29

  1,3-Substituted-8-(oxo-substituted cycloalkyl)xanthines and pharmaceutically acceptable salts of such compounds are disclosed. Preferred compounds include the cis and trans isomers of 1,3-dipropyl-8-(3-hydroxycyclopentyl)xanthine and the cis and trans isomers of 1,3-dipropyl-8-(4-hydroxycyclohexyl)xanthine. The compounds are potent and selective bronchodilators and/or cardiotonic agents.

  本文介绍了1,3-取代-8-(氧代取代环烷基)黄嘌呤及其药学上可接受的盐。优选化合物包括1,3-二丙基-8-(3-羟基环戊基)黄嘌呤的顺反异构体和1,3-二丙基-8-(4-羟基环己基)黄嘌呤的顺反异构体。这些化合物是有效的选择性支气管扩张剂和/或心力增强剂。
• Pyrazolopyrimidine compound and a process for preparing the same
  申请人：Takamuro Iwao

  公开号：US20060135525A1

  公开（公告）日：2006-06-22

  The present invention provides a novel pyrazolopyrimidine compound of the formula [I]: wherein R′ is (A) a substituted aryl group, (B) an optionally substituted nitrogen-containing aliphatic heteromonocyclic group, (C) a substituted cyclo-lower alkyl group, (D) an optionally substituted amino group, or (E) a substituted heteroaryl group, R 2 is (a) an optionally substituted heteroaryl group or (b) an optionally substituted aryl group, Y is a single bond, a lower alkylene group or a lower alkenylene group, Z is a group of the formula: —CO—, —CH2-, S02- or a group of the formula [II]: Q is a lower alkylene group, and q is an integer of 0 or 1 or a pharmaceutically acceptable sait thereof, which has a small conductance potassium channel (SK channel) blocking activity and is useful as a medicament and a process for preparing the same.

  本发明提供了一种新型的吡唑嘧啶化合物，其化学式为[I]：其中R′为（A）取代芳基，（B）可选取代的含氮脂肪杂环基，（C）取代的环低烷基，（D）可选取代的氨基或（E）取代的杂环芳基；R2为（a）可选取代的杂环芳基或（b）可选取代的芳基；Y为单键，低碳基烷基或低碳基烯基；Z为式[II]的基团：其中Q为低碳基烷基，q为0或1的整数，或其药学上可接受的盐。该化合物具有小电导钾通道（SK通道）阻滞活性，并可作为药物使用，以及其制备方法。
• Iro, Mitsuru; Oxui, Hideshi; Nakagawa, Harumi, Bioscience, Biotechnology and Biochemistry, 2003, vol. 67, # 6, p. 1230 - 1238
  作者：Iro, Mitsuru、Oxui, Hideshi、Nakagawa, Harumi、Mio, Shigeru、Kinoshita, Ayako、Obayashi, Takashi、Miura, Takako、Nagai, Junko、Yoicoi, Shinji、Ichinose, Reiji、Tanaka, Keiji、et al.

  DOI：——

  日期：——
• PYRAZOLOPYRIMIDINE COMPOUND AND PROCESS FOR PREPARING THE SAME
  申请人：TANABE SEIYAKU CO., LTD.

  公开号：EP1585481A2

  公开（公告）日：2005-10-19