6-(5-ethoxycarbonyl-5-methyl-hexyloxy)-2,2-dimethylhexanoic acid ethyl ester | 183293-88-1

• 分子结构分类: 有机化合物 - 脂质和类脂质分子 - 脂肪酰基
• 英文名称: 6-(5-ethoxycarbonyl-5-methyl-hexyloxy)-2,2-dimethylhexanoic acid ethyl ester
• 英文别名: Ethyl 2,2-dimethyl-6-(5-methyl-5-ethoxycarbonyl hexyloxy)hexanoate；Ethyl 6-(6-ethoxy-5,5-dimethyl-6-oxohexoxy)-2,2-dimethylhexanoate
• CAS: 183293-88-1
• 化学式: C₂₀H₃₈O₅
• 分子量: 358.519
• InChiKey: RDPATGHAVQEVBJ-UHFFFAOYSA-N

物化性质

• 沸点：
  408.8±30.0 °C(Predicted)
• 密度：
  0.963±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  4.5
• 重原子数：
  25
• 可旋转键数：
  16
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.9
• 拓扑面积：
  61.8
• 氢给体数：
  0
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  6-(5-ethoxycarbonyl-5-methyl-hexyloxy)-2,2-dimethylhexanoic acid ethyl ester 以84的产率得到6-(6-羟基-5,5-二甲基-6-氧代己氧基)-2,2-二甲基己酸
  参考文献：
  名称：

  PROCESSES AND INTERMEDIATES FOR PREPARING a,w -DICARBOXYLIC ACID-TERMINATED DIALKANE ETHERS

  摘要：

  本公开提供了一种制备式（III）化合物、式（V）化合物和相应的式（IV）盐的过程。本发明的方法和过程制备的化合物特别适用于在人类和动物中使用。

  公开号：

  US20160137584A1
• 作为产物：
  描述：

  双(4-氯丁基)醚 在 正己基锂 、 二异丙胺 、 sodium iodide 作用下， 以 四氢呋喃 、 丙酮 为溶剂， 反应 48.5h， 生成 6-(5-ethoxycarbonyl-5-methyl-hexyloxy)-2,2-dimethylhexanoic acid ethyl ester
  参考文献：
  名称：

  [EN] PROCESSES AND INTERMEDIATES FOR PREPARING α,ω-DICARBOXYLIC ACID-TERMINATED DIALKANE ETHERS
  [FR] PROCÉDÉS ET INTERMÉDIAIRES POUR PRÉPARER DES ÉTHERS DE DIALCANE À TERMINAISON Α,Ω-ACIDE DICARBOXYLIQUE

  摘要：

  公开号：

  WO2016077832A3

文献信息

• Novel carnitine conjugates as dual prodrugs and uses thereof
  申请人：Goel P. Om

  公开号：US20050101572A1

  公开（公告）日：2005-05-12

  The present invention discloses novel dual prodrug compositions of Formula 1, wherein A is a single bond, —O—, or —CH 2 —; m and n vary from 0 to 15; p and q vary from 0 to 4; B is a single bond or —CR 3 R 4 ; D is selected from the group consisting —CO 2 R 5 , —OR 6 , —OCOR 7 , —SO 3 R 8 , —SO 2 NH 2 , —OPO(OR 9 )(OR 10 ), —OPO(OR 9 )(NH 2 ), —OPO(OR 9 )—O—PO(OR 10 )(OR 11 ), R 1 to R 11 are various substituents selected to optimize the physicochemical and biological properties such as, lipophilicity, toxicity, bioavailability, and pharmacokinetics of compounds of Formula 1. These compounds are useful for the treatment of various cardiovascular and neurological disorders.

  本发明揭示了一种新型的Formula 1的双前药组合物，其中A是一个单键，-O-或-CH2-；m和n的取值范围为0至15；p和q的取值范围为0至4；B是一个单键或-CR3R4；D从以下组合中选择：-CO2R5，-OR6，-OCOR7，-SO3R8，-SO2NH2，-OPO(OR9)(OR10)，-OPO(OR9)(NH2)，-OPO(OR9)-O-PO(OR10)(OR11)，R1至R11是各种取代基，用于优化Formula 1化合物的理化和生物性质，如脂溶性、毒性、生物利用度和药代动力学。这些化合物可用于治疗各种心血管和神经系统疾病。
• [EN] ETHER COMPOUNDS AND COMPOSITIONS FOR CHOLESTEROL MANAGEMENT AND RELATED USES<br/>[FR] COMPOSES D'ETHER ET COMPOSITIONS POUR LE CONTROLE DE CHOLESTEROL ET UTILISATIONS ASSOCIEES
  申请人：ESPERION THERAPEUTICS INC

  公开号：WO2005068410A1

  公开（公告）日：2005-07-28

  The present invention relates to novel ether compounds, compositions comprising ether compounds, and methods useful for treating and preventing cardiovascular diseases, dyslipidemias, dysproteinemias, and glucose metabolism disorders comprising administering a composition comprising an ether compound. The compounds, compositions, and methods of the invention are also useful for treating and preventing Alzheimer's Disease, Syndrome X, peroxisome proliferator activated receptor-related disorders, septicemia, thrombotic disorders, obesity, pancreatitis, hypertension, renal disease, cancer, inflammation, and impotence. In certain embodiments, the compounds, compositions, and methods of the invention are useful in combination therapy with other therapeutics, such as hypocholesterolemic and hypoglycemic agents.

  本发明涉及新型醚化合物、包含醚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。在某些实施方式中，该发明的化合物、组合物和方法可与其他治疗药物（如降胆固醇和降血糖药物）联合治疗时使用。
• Carnitine Conjugates As Dual Prodrugs, Methods Of Production And Uses Thereof
  申请人：Goel Om P

  公开号：US20090012160A1

  公开（公告）日：2009-01-08

  The present invention discloses novel dual prodrug compounds of formula (1), methods for their preparation and intermediates in their syntheses, formula (1): wherein A is a single bond, —O—, or —CH 2 —; m and n vary independently and are an integer from 1 to 15; p and q vary from 0 to an integer from 1 to 4; B is a single bond or —CR 3 R 4 ; D is formula (2): or formula (3): and X is halogen; R 1 to R 4 are various substituents selected to optimize the physiochemical and biological properties such as, lipophilicity, bioavailability, and pharmacokinetics of compounds of Formula 1; and R 1 and R 2 or R 3 and R 4 may optionally be tethered together to form a 3- to 7-membered alicyclic ring. These compounds are useful for the treatment of various infections, metabolic, cardiovascular and neurological disorders.

  本发明披露了一种新颖的双重前药化合物，其化学式为(1)，以及它们的制备方法和合成中间体，其中A为单键，-O-或-CH2-；m和n独立变化，均为1至15的整数；p和q变化为0或1至4的整数；B为单键或-CR3R4；D为式(2)或式(3)；X为卤素；R1至R4为各种取代基，选取以优化化合物的物理化学和生物学特性，如脂溶性、生物利用度和药代动力学；R1和R2或R3和R4可选择性地被连接在一起形成3至7个成员的脂环。这些化合物可用于治疗各种感染、代谢、心血管和神经系统疾病。
• PROCESSES AND INTERMEDIATES FOR PREPARING a,w -DICARBOXYLIC ACID-TERMINATED DIALKANE ETHERS
  申请人：Gemphire Therapeutics Inc.

  公开号：US20160137584A1

  公开（公告）日：2016-05-19

  The present disclosure provides a process for the preparation of compounds of formula (III), compounds of formula (V), and corresponding salts of formula (IV). The compounds made by the methods and processes of the invention are particularly useful for administration in humans and animals.

  本公开提供了一种制备式（III）化合物、式（V）化合物和相应的式（IV）盐的过程。本发明的方法和过程制备的化合物特别适用于在人类和动物中使用。
• [EN] ETHER COMPOUNDS, COMPOSITIONS, AND USES THEREOF<br/>[FR] COMPOSES D'ETHER, COMPOSITIONS ET LEURS UTILISATIONS
  申请人：ESPERION THERAPEUTICS INC

  公开号：WO2000059855A1

  公开（公告）日：2000-10-12

  The present invention relates to novel ether compounds, compositions comprising ether compounds, and methods useful for treating and preventing cardiovascular diseases, dyslipidemias, dysproteinemias, and glucose metabolism disorders comprising administering a composition comprising an ether compound. The compounds, compositions, and methods of the invention are also useful for treating and preventing Alzheimer's Disease, Syndrome X, peroxisome proliferator activated receptor-related disorders, septicemia, thrombotic disorders, obesity, pancreatitis, hypertension, renal disease, cancer, inflammation, and impotence. In certain embodiments, the compounds, compositions, and methods of the invention are useful in combination therapy with other therapeutics, such as hypocholesterolemic and hypoglycemic agents.

  本发明涉及新型醚化合物、包含醚化合物的组合物及其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障碍的方法，包括给予含有醚化合物的组合物。本发明的化合物、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药物（如降胆固醇和降血糖药物）的联合治疗也是有用的。