α,α'-tetramethyltetradecanedioic acid | 35449-47-9

• 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: α,α'-tetramethyltetradecanedioic acid
• 英文别名: 2,2,13,13-tetramethyltetradecanedioic acid；2,2,13,13-tetramethyl-tetradecanedioic acid；2,2,13,13-Tetramethyl-tetradecandisaeure；α,α,α',α'-Tetramethyldodecan-1,9-dicarbonsaeure
• CAS: 35449-47-9
• 化学式: C₁₈H₃₄O₄
• 分子量: 314.466
• InChiKey: WAZHJKKFQRONHO-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)：
  6.1
• 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

• 作为反应物：
  描述：

  α,α'-tetramethyltetradecanedioic acid 在 N,N-二异丙基乙胺 、 N,N'-二环己基碳二亚胺 作用下， 以 四氢呋喃 、 二氯甲烷 为溶剂， 反应 1.0h， 生成 C₂₆H₅₀N₄O₆
  参考文献：
  名称：

  [EN] FATTY ACIDS AND THEIR USE IN CONJUGATION TO BIOMOLECULES
  [FR] ACIDES GRAS ET LEUR UTILISATION DANS LA CONJUGAISON DE BIOMOLÉCULES

  摘要：

  公开号：

  WO2015200078A8
• 作为产物：
  描述：

  2,2,13,13-tetramethyl-tetradecanedioic acid diamide 在 硫酸 、 sodium nitrite 作用下， 生成 α,α'-tetramethyltetradecanedioic acid
  参考文献：
  名称：

  The Effect of α-Methyl Substituents on the Anhydridization of Aliphatic Dibasic Acids

  摘要：

  DOI：

  10.1021/ja01145a050

文献信息

• [EN] METHODS OF TREATING OR AMELIORATING METABOLIC DISORDERS USING GROWTH DIFFERENTIATION FACTOR 15 (GDF-15)<br/>[FR] MÉTHODES DE TRAITEMENT OU D'AMÉLIORATION DE TROUBLES MÉTABOLIQUES À L'AIDE DU FACTEUR-15 DE CROISSANCE ET DE DIFFÉRENCIATION (GDF-15)
  申请人：NOVARTIS AG

  公开号：WO2017109706A1

  公开（公告）日：2017-06-29

  The disclosure relates to the treatment of non-alcoholic fatty liver disease (NAFLD) and non-alcoholic steatohepatitis (NASH), as well as end-stage liver disease, hepatic steatosis (fatty liver), liver fibrosis, liver inflammation, liver cirrhosis, primary biliary cirrhosis (PBC), and hepatocellular carcinoma (HCC), by administering to a subject in need a GDF15 protein or a functional variant, mutation, fusion, or conjugate thereof, and to pharmaceutical compositions that contain the same.

  该披露涉及通过向需要的受试者施用GDF15蛋白或其功能变体、突变体、融合物或结合物，以及含有相同成分的药物组合物，治疗非酒精性脂肪肝病（NAFLD）和非酒精性脂肪性肝炎（NASH），以及晚期肝病、肝脂肪变性（脂肪肝）、肝纤维化、肝炎、肝硬化、原发性胆汁性肝硬化（PBC）和肝细胞癌（HCC）。
• [EN] ORGANIC COMPOSITIONS TO TREAT APOC3-RELATED DISEASES<br/>[FR] COMPOSITIONS ORGANIQUES POUR LETRAITEMENT DE PATHOLOGIES LIÉES À L'APOC3
  申请人：ARROWHEAD RES CORP

  公开号：WO2016011123A1

  公开（公告）日：2016-01-21

  The present disclosure relates to compositions and methods for treating APOC3-related diseases such as: hypertriglyceridemia (e.g., Type V Hypertriglyceridemia), abnormal lipid metabolism, abnormal cholesterol metabolism, atherosclerosis, hyperlipidemia, diabetes, including Type 2 diabetes, obesity, cardiovascular disease, and coronary artery disease, among other disorders relating to abnormal metabolism or otherwise, using a therapeutically effective amount of a RNAi agent to APOC3.

  本公开涉及用于治疗与APOC3相关疾病的组合物和方法，例如：高甘油三酯血症（例如，V型高甘油三酯血症）、异常脂质代谢、异常胆固醇代谢、动脉粥样硬化、高脂血症、糖尿病，包括2型糖尿病、肥胖、心血管疾病和冠状动脉疾病等与异常代谢或其他障碍有关的疾病，使用对APOC3具有治疗作用的RNAi药剂的治疗有效量。
• Carboxylic acids and derivatives thereof and pharmaceutical compositions containing them
  申请人：——

  公开号：US20020049345A1

  公开（公告）日：2002-04-25

  The invention relates to carboxylic acids and derivatives thereof and pharmaceutical compound containing them. The active compounds are represented by the formula compound represented by formula I, wherin R 1 -R 4 each independently represents an unsubstituted or substituted hydrocarbyl or heterocyclyl radical, Q represents a diradical consisting of a linear chain of 11 to 18 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, and where one or both of de carboxyl groups can be substituted by an in vitro hydrolyzable physiologically acceptable substituent; with the proviso that: compounds wherein R 1 -R 4 each represents CH 3 and Q represents a linear chain of 14 carbons, are excluded; and compounds wherein Q represents a linear chain of carbon atoms one of which is replaced by oxygen or sulfur, are excluded. 1

  本发明涉及羧酸及其衍生物和含有它们的药物化合物。活性化合物由式I表示，其中R1-R4各自独立地表示未取代或取代的烃基或杂环基，Q表示由11到18个碳原子的线性链组成的双原子基团，其中可以有一个或多个被杂原子取代，该链可以被惰性取代基取代，并且该碳或杂原子链的一个或多个成员可以选择地构成环结构，其中一个或两个羧基可以被体外水解的生理可接受的取代基取代；但是具有以下特征：其中R1-R4表示CH3且Q表示14个碳原子的线性链的化合物被排除；以及Q表示碳原子链的一个原子被氧或硫替换的化合物被排除。
• NOVEL FATTY ACIDS AND THEIR USE IN CONJUGATION TO BIOMOLECULES
  申请人：BARNES David Weninger

  公开号：US20160030585A1

  公开（公告）日：2016-02-04

  The invention provides a conjugate comprising a biomolecule linked to a fatty acid via a linker wherein the fatty acid has the following Formulae A1, A2 or A3: wherein R 1 , R 2 , R 3 , R 4 , Ak, n, m and p are defined herein. The invention also relates to a method for manufacturing the conjugate of the invention such as GDF15 conjugate, and its therapeutic uses such as treatment or prevention of metabolic disorders or diseases, type 2 diabetes mellitus, obesity, pancreatitis, dyslipidemia, alcoholic and nonalcoholic fatty liver disease/steatohepatitis and other progressive liver diseases, insulin resistance, hyperinsulinemia, glucose intolerance, hyperglycemia, metabolic syndrome, hypertension, cardiovascular disease, atherosclerosis, peripheral arterial disease, stroke, heart failure, coronary heart disease, diabetic complications (including but not limited to chronic kidney disease), neuropathy, gastroparesis and other metabolic disorders. The present invention further provides a combination of pharmacologically active agents and a pharmaceutical composition.

  本发明提供了一种共轭物，其包括通过连接剂与脂肪酸连接的生物分子，其中所述的脂肪酸具有以下的化学式A1、A2或A3：其中，R1、R2、R3、R4、Ak、n、m和p在此定义。本发明还涉及一种制造GDF15共轭物等本发明共轭物的方法，以及其治疗用途，如治疗或预防代谢性疾病或疾病、2型糖尿病、肥胖症、胰腺炎、血脂异常、酒精性和非酒精性脂肪肝病/脂肪性肝炎和其他进行性肝脏疾病、胰岛素抵抗、高胰岛素血症、葡萄糖不耐受、高血糖、代谢综合征、高血压、心血管疾病、动脉粥样硬化、周围动脉疾病、中风、心力衰竭、冠心病、糖尿病并发症（包括但不限于慢性肾脏疾病）、神经病变、胃轻瘫和其他代谢性疾病。本发明还提供了药理活性剂的组合和制药组合物。
• Organic compositions to treat APOC3-related diseases
  申请人：Arrowhead Pharmaceuticals, Inc.

  公开号：US10240153B2

  公开（公告）日：2019-03-26

  The present disclosure relates to compositions and methods for treating APOC3-related diseases such as: hypertriglyceridemia (e.g., Type V Hypertriglyceridemia), abnormal lipid metabolism, abnormal cholesterol metabolism, atherosclerosis, hyperlipidemia, diabetes, including Type 2 diabetes, obesity, cardiovascular disease, and coronary artery disease, among other disorders relating to abnormal metabolism or otherwise, using a therapeutically effective amount of a RNAi agent to APOC3.

  本公开涉及治疗 APOC3 相关疾病的组合物和方法，这些疾病包括：高甘油三酯血症（如 V 型高甘油三酯血症）、脂质代谢异常、胆固醇代谢异常、动脉粥样硬化、高脂血症、糖尿病（包括 2 型糖尿病）、肥胖、心血管疾病和冠状动脉疾病，以及其他与代谢异常或其他有关的疾病。