3,3,12,12-四甲基十四烷二酸 | 25570-16-5

• 分子结构分类: 有机化合物 - 脂质和类脂质分子 - 脂肪酰基
• 中文名称: 3,3,12,12-四甲基十四烷二酸
• 英文名称: 3,3,12,12-tetramethyltetradecanedioic acid
• 英文别名: 3,3,12,12-Tetramethyl-tetradeca-1,14-dioic acid
• CAS: 25570-16-5
• 化学式: C₁₈H₃₄O₄
• 分子量: 314.466
• InChiKey: SRJWQXGYTPCQBI-UHFFFAOYSA-N

物化性质

• 沸点：
  461.4±18.0 °C(Predicted)
• 密度：
  0.998±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  5.9
• 重原子数：
  22
• 可旋转键数：
  13
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.89
• 拓扑面积：
  74.6
• 氢给体数：
  2
• 氢受体数：
  4

反应信息

• 作为产物：
  描述：

  2,2,9,9-tetramethyldecane-1,1,10,10-tetracarboxylic acid 生成 3,3,12,12-四甲基十四烷二酸
  参考文献：
  名称：

  BAR-TANA, JACOB;BEN-SHOSHAN, SHOSHANA;BLUM, JOCHANAN;MIGRON, YOELIT;HERTZ+, J. MED. CHEM., 32,(1989) N, C. 2072-2084

  摘要：

  DOI：

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。
• Long-chain alpha, omega-dicarboxylic acids and derivatives thereof and pharmaceutical compositions containing them
  申请人：Epis S.A.

  公开号：EP0081930A1

  公开（公告）日：1983-06-22

  A novel class of compounds has been found to be effective in blocking cholesterol and neutral lipid synthesis n-vivo without adversely affecting energy metabolism. The active compounds have the general formula or in-vivo hydrolysable functional derivatives of the carboxylic groups thereof, wherein R1 and R2 each independently represents an unsubstituted or substituted hydrocarbyl or heterocyclyl radical; X and Y each independently represents hydrogen, optionally substituted lower alkyl, halogen, cyano, carboxy, lower alkoxycarbonyl or carbamoyl; and Q represents a diradical consisting of a linear chain of 8 to 14 carbon atoms, one or more of which may be replaced by heteroatoms, said chain being optionally substituted by inert substituents and one or more of said carbon or heteroatom chain members optionally forming part of a ring structure. The invention also provides pharmaceutical compositions comprising the aforementioned compounds of formula (I) for the treatment of obesity, hyperlipidemia and- maturity-onset diabetes.

  研究发现，一类新型化合物能有效阻止体内胆固醇和中性脂质的合成，而不会对能量代谢产生不利影响。这些活性化合物的通式为 或其羧基的体内可水解官能团衍生物，其中 R1 和 R2 各自独立地代表未取代或取代的烃基或杂环基； X和Y各自独立地代表氢、任选取代的低级烷基、卤素、氰基、羧基、低级烷氧基羰基或氨基甲酰基；以及 Q 代表由 8 至 14 个碳原子的线性链组成的二叉基，其中一个或多个碳原子可被杂原子取代，所述链可任选被惰性取代基取代，一个或多个所述碳或杂原子链成员可任选形成环状结构的一部分。 本发明还提供了包含上述式（I）化合物的药物组合物，用于治疗肥胖症、高脂血症和成熟期糖尿病。
• Carboxylic acids and derivatives thereof and pharmaceutical compositions containing them
  申请人：YISSUM RESEARCH DEVELOPMENT COMPANY OF HEBREW UNIVERSITY OF JERUSALEM

  公开号：US20020037876A1

  公开（公告）日：2002-03-28

  In accordance with the present invention, there are provided therapeutically effective compounds comprising an amphipathic carboxylate of the formula R—COOH, or a salt or an ester or amide of such compound, where R designates a saturated or unsaturated alkyl chain of 10-24 carbon atoms, one or more of which may be replaced by heteroatoms, where one or more of said carbon or heteroatom chain members optionally forms part of a ring, and where said chain is optionally substituted by a hydrocarbyl radical, heterocyclyl radical, lower alkoxy, hydroxyl-substituted lower alkyl, hydroxyl, carboxyl, halogen, phenyl or (hydroxy-, lower alkyl-, lower alkoxy-, lower alkenyl- or lower alkinyl)-substituted phenyl, C 3 -C 7 cycloalkyl or (hydroxy-, lower alkyl-, lower alkoxy-, lower alkenyl- or lower alkinyl)-substituted C 3 -C 7 cycloalkyl wherein said amphipathic carboxylate is capable of being endogenously converted to its respective coenzyme A thioester.

  根据本发明，提供了具有治疗效果的化合物，该化合物包含式 R-COOH 的两性羧酸盐或该化合物的盐或酯或酰胺，其中 R 表示 10-24 个碳原子的饱和或不饱和烷基链，其中一个或多个碳原子可被杂原子取代、其中一个或多个所述碳链或杂原子链成员可选择构成环的一部分，且所述链可选择被烃基、杂环基、低级烷氧基、羟基取代的低级烷基、羟基、羧基、卤素、苯基或（羟基-、低级烷基-、低级烷氧基-、低级烯基-或低级烷基）取代的苯基取代，C. 3 -C 7 环烷基或（羟基、低级烷基、低级烷氧基、低级烯基或低级烷基）取代的 C 3 -C 7 3 -C 7 或（羟基-低级烷基-低级烷氧基-低级烯基-或低级烷基）-取代的 C 3 -C 7 环烷基，其中所述两性羧酸酯可内源转化为各自的辅酶 A 硫酯。
• 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。