bis-(5,5-dimethyl-6-tetrahydropyranyloxyhexyl)-sulfide | 412937-68-9

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 氧烷类
• 英文名称: bis-(5,5-dimethyl-6-tetrahydropyranyloxyhexyl)-sulfide
• 英文别名: 2H-Pyran, 2,2'-[thiobis[(2,2-dimethyl-6,1-hexanediyl)oxy]]bis[tetrahydro-；2-[6-[5,5-dimethyl-6-(oxan-2-yloxy)hexyl]sulfanyl-2,2-dimethylhexoxy]oxane
• CAS: 412937-68-9
• 化学式: C₂₆H₅₀O₄S
• 分子量: 458.747
• InChiKey: VRSUAEIFUULQBH-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  6.8
• 重原子数：
  31
• 可旋转键数：
  16
• 环数：
  2.0
• sp3杂化的碳原子比例：
  1.0
• 拓扑面积：
  62.2
• 氢给体数：
  0
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  bis-(5,5-dimethyl-6-tetrahydropyranyloxyhexyl)-sulfide 在 concd. HCl 作用下， 以 甲醇 为溶剂， 生成 6-(5,5-Dimethyl-6-hydroxy-hexyl-sulfanyl)-2,2-dimethyl-hexan-1-ol
  参考文献：
  名称：

  Sulfide and disulfide compounds and compositions for cholesterol management and related uses

  摘要：

  本发明涉及新型硫化物和二硫化物化合物，含有硫化物和二硫化物化合物的组合物，以及使用含有醚化合物的组合物治疗和预防心血管疾病、血脂异常、蛋白异常和葡萄糖代谢紊乱的方法。本发明的化合物、组合物和方法也可用于治疗和预防阿尔茨海默病、X综合症、过氧化物酶体增殖物激活受体相关疾病、败血症、血栓性疾病、肥胖症、胰腺炎、高血压、肾脏疾病、癌症、炎症和阳痿。在某些实施例中，本发明的化合物、组合物和方法与其他治疗剂，如降胆固醇和降血糖药物一起进行联合治疗。

  公开号：

  US20020077316A1
• 作为产物：
  描述：

  2H-吡喃,2-[(6-溴-2,2-二甲基己基)氧代]四氢- 在 sodium sulfide 作用下， 以 乙醇 、 水 为溶剂， 反应 22.0h， 以78%的产率得到bis-(5,5-dimethyl-6-tetrahydropyranyloxyhexyl)-sulfide
  参考文献：
  名称：

  [EN] SULFIDE AND DISULFIDE COMPOUNDS AND COMPOSITIONS FOR CHOLESTEROL MANAGEMENT AND RELATED USES
  [FR] COMPOSES SULFURES ET DISULFURES ET COMPOSITIONS POUR LE CONTROLE DE CHOLESTEROL ET UTILISATIONS ASSOCIEES

  摘要：

  该发明涵盖了新型硫化物和二硫化物化合物，包括硫化物和二硫化物化合物的组合物，以及用于治疗和预防心血管疾病、血脂异常、蛋白异常和葡萄糖代谢紊乱的方法，包括给予含有醚化合物的组合物。该发明的化合物、组合物和方法还可用于治疗和预防阿尔茨海默病、X综合征、过氧化物酶体增殖激活受体相关疾病、败血症、血栓性疾病、肥胖、胰腺炎、高血压、肾脏疾病、癌症、炎症和阳痿。在某些实施例中，该发明的化合物、组合物和方法可与其他治疗药物联合治疗，如降胆固醇和降血糖药物。

  公开号：

  WO2005068418A1

文献信息

• Method of treating osteoarthritis
  申请人：——

  公开号：US20040048910A1

  公开（公告）日：2004-03-11

  This invention relates to combinations, compositions, and methods using or having a substituted dialkyl ether, substituted aryl-alkyl ether, substituted dialkyl thioether, substituted dialkyl ketone, or substituted-alkyl compound, or a pharmaceutically acceptable salt thereof, as an active component for preventing or treating osteoarthritis, preventing or inhibiting cartilage damage, preventing or treating rheumatoid arthritis, improving joint function, alleviating pain, and the like in a patient in need thereof.

  本发明涉及使用或含有取代的二烷基醚、取代的芳基-烷基醚、取代的二烷基硫醚、取代的二烷基酮或取代的烷基化合物，或其药学上可接受的盐作为活性成分，用于预防或治疗骨关节炎、预防或抑制软骨损伤、预防或治疗类风湿关节炎、改善关节功能、缓解疼痛等方面的组合物、组成物和方法，适用于需要治疗的患者。
• Method of lowering CRP and reducing systemic inflammation
  申请人：——

  公开号：US20040167229A1

  公开（公告）日：2004-08-26

  Disclosed are methods of lowering plasma CRP levels, reducing systemic inflammation, and inhibiting proinflammatory cytokine induced CRP production by administering an effective amount of a substituted dialkyl ether, substituted alkyl, substituted aryl-alkyl, substituted dialkyl thioether, substituted dialkyl ketone, substituted-alkyl, or a pharmaceutically acceptable salt of the substituted dialkyl ether, substituted alkyl, substituted aryl-alkyl, substituted dialkyl thioether, substituted dialkyl ketone, or substituted-alkyl or a pharmaceutical composition comprising a substituted dialkyl ether, substituted alkyl, substituted aryl-alkyl, substituted dialkyl thioether, substituted dialkyl ketone, substituted-alkyl.

  本发明涉及通过给予有效量的取代二烷基醚、取代烷基、取代芳基-烷基、取代二烷基硫醚、取代二烷基酮、取代烷基或其药学上可接受的盐，以及包含取代二烷基醚、取代烷基、取代芳基-烷基、取代二烷基硫醚、取代二烷基酮、取代烷基的药物组合物，来降低血浆CRP水平，减少全身性炎症，并抑制促炎细胞因子诱导的CRP产生的方法。
• Pharmaceutical compositions including an ether and selective COX-2 inhibitor and methods for using such
  申请人：Kowala C. Mark

  公开号：US20050004196A1

  公开（公告）日：2005-01-06

  Disclosed herein are pharmaceutical compositions including a dialkyl ether, substituted alkyl, substituted aryl-alkyl, substituted dialkyl thioether, substituted dialkyl ketone, substituted-alkyl, or a pharmaceutically acceptable salt of said dialkyl ether, substituted alkyl, substituted aryl-alkyl, substituted dialkyl thioether, substituted dialkyl ketone, or substituted-alkyl, and a selective cyclooxygenase-2 (COX-2) inhibitor, or a pharmaceutically acceptable salt of said selective COX-2 inhibitor. Also disclosed are methods of using such pharmaceutical compositions for the treatment of inflammation and inflammation-associated diseases, inflammation and inflammation-associated disorders mediated by proinflammatory cytokines, and proinflammatory cytokine induced CRP production.

  本文公开了药物组合物，包括二烷基醚、取代的烷基、取代的芳基烷基、取代的二烷基硫醚、取代的二烷基酮、取代的烷基或所述二烷基醚、取代的烷基、取代的芳基烷基、取代的二烷基硫醚、取代的二烷基酮或取代的烷基的药学上可接受的盐，以及选择性环氧化酶-2（COX-2）抑制剂或所述选择性COX-2抑制剂的药学上可接受的盐。还公开了使用此类药物组合物治疗炎症和炎症相关疾病、由促炎细胞因子介导的炎症和炎症相关疾病以及促炎细胞因子诱导的 CRP 生成的方法。
• Methods for treating inflammation and inflammation-associated diseases with a statin and ether
  申请人：Ghazzi Maha

  公开号：US20050026979A1

  公开（公告）日：2005-02-03

  Disclosed herein are methods for treating and preventing inflammation and inflammation-associated diseases by co-administering to a patient in need thereof a dialkyl ether, substituted alkyl, substituted aryl-alkyl, substituted dialkyl thioether, substituted dialkyl ketone, substituted-alkyl, or a pharmaceutically acceptable salt of said dialkyl ether, substituted alkyl, substituted alkyl-alkyl, substituted dialkyl thioether, substituted dialkyl ketone, or substituted-alkyl, and a statin, or a pharmaceutically acceptable salt of said statin.

  本文公开了治疗和预防炎症和炎症相关疾病的方法，即向有需要的患者联合施用二烷基醚、取代的烷基、取代的芳基-烷基、取代的二烷基硫醚、取代的二烷基酮、取代的烷基或所述二烷基醚、取代的烷基、取代的烷基-烷基、取代的二烷基硫醚、取代的二烷基酮或取代的烷基的药学上可接受的盐，以及他汀类药物或所述他汀类药物的药学上可接受的盐。
• Influence of Various Central Moieties on the Hypolipidemic Properties of Long Hydrocarbon Chain Diols and Diacids
  作者：Daniela C. Oniciu、Jean-Louis H. Dasseux、Jing Yang、Ralf Mueller、Emil Pop、Anna Denysenko、Caiming Duan、Tian-Bao Huang、Lianhao Zhang、Brian R. Krause、Sandra L. Drake、Narendra Lalwani、Clay T. Cramer、Brian Goetz、Michael E. Pape、Andrew McKee、Gregory J. Fici、Janell M. Lutostanski、Stephen C. Brown、Charles L. Bisgaier

  DOI：10.1021/jm050650j

  日期：2006.1.1

  A series of long (11-15) hydrocarbon chain diols and diacids with various central functional groups and terminal gem-dimethyl or -methyl/aryl substituents was synthesized and evaluated in both in vivo and in vitro assays for its potential to favorably alter lipid disorders including metabolic syndrome. Compounds were assessed for their effects on the de novo incorporation of radiolabeled acetate into lipids in primary cultures of rat hepatocytes, as well as for their effects on lipid and glycemic variables in obese female Zucker fatty rats, Crl:(ZUC)-faBR. The most active compounds were hydroxyl-substituted symmetrical diacids and diols with a 13-atom chain and terminal gem-dimethyl substituents. Furthermore, biological activity was enhanced by central substitution with O, C=O, S, S=O compared to the methylene analogues and was diminished for compounds with central functional groups such as carbamate, ester, urea, acetylmethylene, and hydroxymethylene.