1,4-DIMETHOXYCYCLOHEXANE | 28046-69-7

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: 1,4-DIMETHOXYCYCLOHEXANE
• 英文别名: trans-1,4-dimethoxycyclohexane；trans-1,4-dimethoxy-cyclohexane；trans-1,4-Dimethoxy-cyclohexan；trans-1,4-Dimethoxy-cyclohexan；trans-1,4-Dimethoxicyclohexan；trans-1,4-Dimethoxycyclohexan
• CAS: 28046-69-7
• 化学式: C₈H₁₆O₂
• 分子量: 144.214
• InChiKey: SVHAWXAAVLMPLW-ZKCHVHJHSA-N

物化性质

• 沸点：
  65.570 °C(Press: 0.9 Torr)
• 密度：
  0.92±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  1.59
• 重原子数：
  10.0
• 可旋转键数：
  2.0
• 环数：
  1.0
• sp3杂化的碳原子比例：
  1.0
• 拓扑面积：
  18.46
• 氢给体数：
  0.0
• 氢受体数：
  2.0

反应信息

• 作为产物：
  描述：

  trans-N.N'-Dinitroso-N.N'-dicarbethoxy-1.4-diamino-cyclohexan 、 sodium methylate 生成 1,4-DIMETHOXYCYCLOHEXANE
  参考文献：
  名称：

  Heyns,K. et al., Justus Liebigs Annalen der Chemie, 1960, vol. 634, p. 49 - 64

  摘要：

  DOI：

文献信息

• [EN] SULFOXIMINE SUBSTITUTED QUINAZOLINES FOR PHARMACEUTICAL COMPOSITIONS<br/>[FR] QUINAZOLINES SUBSTITUÉES PAR SULFOXIMINE POUR COMPOSITIONS PHARMACEUTIQUES
  申请人：BOEHRINGER INGELHEIM INT

  公开号：WO2014072244A1

  公开（公告）日：2014-05-15

  This invention relates to novel sulfoximine substituted quinazoline derivatives of formula (I), wherein Ar, R1 and R2 are as defined in the description and claims, and their use as MNK1 (MNK1a or MNK1b) and/or MNK2 (MNK2a or MNK2b) kinase inhibitors, pharmaceutical compositions containing the same, and methods of using the same as agents for treatment or amelioration of MNK1 (MNK1a or MNK1b) and/or MNK2 (MNK2a or MNK2b) mediated disorders.

  这项发明涉及一种新型的配方(I)的磺酰胺取代喹唑啉衍生物，其中Ar、R1和R2如描述和声明中所定义，并且它们作为MNK1（MNK1a或MNK1b）和/或MNK2（MNK2a或MNK2b）激酶抑制剂的用途，含有这些化合物的药物组合物，以及将其用作治疗或改善MNK1（MNK1a或MNK1b）和/或MNK2（MNK2a或MNK2b）介导的疾病的药剂的方法。
• [EN] LINKED DIBENZIMIDAZOLE DERIVATIVES<br/>[FR] DÉRIVÉS DU DIBENZIMIDAZOLE LIÉS
  申请人：ENANTA PHARM INC

  公开号：WO2010091413A1

  公开（公告）日：2010-08-12

  The present invention discloses linked dibenzimidazole derivatives, or pharmaceutically acceptable salts, esters, or prodrugs thereof, which inhibit RNA-containing virus, particularly the hepatitis C virus (HCV). Consequently, the compounds of the present invention interfere with the life cycle of the hepatitis C virus and are also useful as antiviral agents. The present invention further relates to pharmaceutical compositions comprising the aforementioned compounds for administration to a subject suffering from HCV infection. The invention also relates to methods of treating an HCV infection in a subject by administering a pharmaceutical composition comprising the compounds of the present invention.

  本发明公开了联苯二咪唑衍生物，或其药学上可接受的盐、酯或前药，其抑制含RNA的病毒，特别是丙型肝炎病毒（HCV）。因此，本发明的化合物干扰丙型肝炎病毒的生命周期，并且也可用作抗病毒剂。本发明还涉及包括上述化合物的药物组合物，用于治疗患有HCV感染的受试者。该发明还涉及通过给予包含本发明化合物的药物组合物来治疗受试者的HCV感染的方法。
• [EN] HEPATITIS C VIRUS INHIBITORS<br/>[FR] INHIBITEURS DU VIRUS DE L'HÉPATITE C
  申请人：ENANTA PHARM INC

  公开号：WO2010099527A1

  公开（公告）日：2010-09-02

  The present invention discloses compounds or pharmaceutically acceptable salts, esters, or prodrugs thereof, which inhibit RNA-containing virus, particularly the hepatitis C virus (HCV). Consequently, the compounds of the present invention interfere with the life cycle of the hepatitis C virus and are also useful as antiviral agents. The present invention further relates to pharmaceutical compositions comprising the aforementioned compounds for administration to a subject suffering from HCV infection. The invention also relates to methods of treating an HCV infection in a subject by administering a pharmaceutical composition comprising the compounds of the present invention.

  本发明公开了抑制RNA含病毒，特别是丙型肝炎病毒（HCV）的化合物或药用可接受的盐、酯或前药，因此，本发明的化合物干扰丙型肝炎病毒的生命周期，并且也可用作抗病毒剂。本发明还涉及包含上述化合物的药物组合物，用于治疗患有HCV感染的受试者。该发明还涉及通过给予包含本发明化合物的药物组合物来治疗受试者的HCV感染的方法。
• Syntheses and conformational analyses of mono- and trans-1,4-dialkoxy substituted cyclohexanes—the steric substituent/skeleton interactions
  作者：Erich Kleinpeter、Jörg Thielemann

  DOI：10.1016/j.tet.2007.06.094

  日期：2007.9

  trans-1,4-dialkoxy substituted cyclohexanes (alkyl=Me, Et, i-Pr, t-Bu) were prepared using the solvomercuration–demercuration (SM–DM) procedure. The axial⇋axial and axial,axial⇋equatorial, equatorial conformational equilibria of the products were studied by low temperature 1H and 13C NMR spectroscopy in CD2Cl2. The structures and relative energies of the participating conformers were calculated at both the

  单-和反式-1,4-二烷氧基取代的环己烷（烷基= Me，Et，i- Pr，t- Bu）是使用溶剂化-脱汞（SM-DM）程序制备的。通过低温1 H和13 C NMR光谱法在CD 2 Cl 2中研究了产物的轴向，轴向和轴向，赤道，赤道构象平衡。在理论上的B3LYP（6-311G ∗ // 6-311 + G ∗）和MP2（6-311 + G ∗ // 6-311G ∗）水平上计算参与构象异构体的结构和相对能。在DFT的情况下，ΔG具有良好的相关性ø计算值与Δ ģ ö exptl获得。已针对构象分析的已建立模型讨论了构象异构体的结构和能量差异，即。空间和超共轭相互作用。另外，关于存在的超共轭，考虑了1 J H，C耦合常数。
• 3-Substituted-6-Aryl Pyridines
  申请人：Hutchison Alan J.

  公开号：US20090176980A1

  公开（公告）日：2009-07-09

  3-substituted-6-aryl pyridines of Formula I are provided: wherein R 1 , R 2 , R 3 , R 8 , R 9 , A and Ar are defined herein. Such compounds are ligands of C5a receptors. Preferred compounds of Formula I bind to C5a receptors with high affinity and exhibit neutral antagonist or inverse agonist activity at C5a receptors. The present invention also relates to pharmaceutical compositions comprising such compounds, and to the use of such compounds in treating a variety of inflammatory, cardiovascular, and immune system disorders. In addition, the present invention provides labeled 3-substituted-6-aryl pyridines, which are useful as probes for the localization of C5a receptors.

  本发明提供了式I中的3-取代-6-芳基吡啶化合物： 其中R1、R2、R3、R8、R9、A和Ar在此定义。这些化合物是C5a受体的配体。式I的优选化合物具有高亲和力结合C5a受体，并在C5a受体上表现出中性拮抗剂或反向激动剂活性。本发明还涉及包含这些化合物的药物组合物，以及在治疗各种炎症，心血管和免疫系统疾病中使用这些化合物的用途。此外，本发明提供了标记的3-取代-6-芳基吡啶，可用作C5a受体的定位探针。