2-chloro-3-oxo-heptanoic acid methyl ester | 866531-16-0

• 分子结构分类: 有机化合物 - 有机酸及其衍生物 - 酮酸及其衍生物
• 英文名称: 2-chloro-3-oxo-heptanoic acid methyl ester
• 英文别名: Methyl 2-chloro-3-oxoheptanoate
• CAS: 866531-16-0
• 化学式: C₈H₁₃ClO₃
• 分子量: 192.642
• InChiKey: TXSHEXXTOFVVRD-UHFFFAOYSA-N

物化性质

• 沸点：
  230.6±20.0 °C(Predicted)
• 密度：
  1.113±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2.1
• 重原子数：
  12
• 可旋转键数：
  6
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.75
• 拓扑面积：
  43.4
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  2-chloro-3-oxo-heptanoic acid methyl ester 以94%的产率得到1-氯-2-己酮
  参考文献：
  名称：

  通过手性吗啉酮的对映体纯1,2-氨基醇的一般合成

  摘要：

  由d-苯基甘氨酸经环亚胺7b - i（或烯胺7a）制得11种旋光的1,2-氨基醇20a - i和26b - c。该策略的关键步骤是非对映选择性还原手性恶嗪酮7a - i。

  DOI：

  10.1016/s0040-4020(99)00935-7
• 作为产物：
  描述：

  3-酮庚酸甲酯 在 磺酰氯 作用下， 以 二氯甲烷 为溶剂， 反应 0.5h， 生成 2-chloro-3-oxo-heptanoic acid methyl ester
  参考文献：
  名称：

  [EN] 7-AZAINDOLES AND THEIR USE AS PPAR AGONISTS
  [FR] 7-AZAINDOLES ET LEUR UTILISATION EN TANT QU'AGONISTES DE PPAR

  摘要：

  这项发明涉及7-氮杂吲哚及其生理上可接受的盐和生理功能衍生物，显示PPAR激动剂活性。所描述的是具有式I的化合物，其中基团如所定义的，以及它们的生理上可接受的盐和制备它们的方法。这些化合物适用于治疗和/或预防脂肪酸代谢紊乱和葡萄糖利用紊乱以及胰岛素抵抗相关的紊乱。

  公开号：

  WO2006029699A1

文献信息

• 7-AZAINDOLES, PHARMACEUTICAL COMPOSITIONS AND THEIR THERAPEUTIC APPLICATIONS
  申请人：KEIL Stefanie

  公开号：US20070254908A1

  公开（公告）日：2007-11-01

  The present invention relates generally to compounds and compositions for the treatment of metabolic diseases and specifically, the present invention relates to compounds that therapeutically modulation and control lipid and/or carbohydrate metabolism and are thus suitable for the prevention and/or treatment of diseases such as type 2 diabetes, atherosclerosis, and the diverse manifestations thereof. The present invention relates to 7-azaindoles, their physiologically acceptable salts and functional derivatives thereof that exhibit a high degree of peroxisome proliferator-activated receptors (PPAR) agonist activity. Compounds of the present invention are described by formula I: in which the R-groups are herein defined, together with their pharmaceutically acceptable salts, therapeutic methods for their use and processes for their preparation. The compounds are suitable for the treatment and/or prevention of disorders of fatty acid metabolism and glucose utilization disorders as well as of disorders in which insulin resistance is involved.

  本发明涉及化合物和组合物，用于治疗代谢性疾病，特别是涉及治疗能够治疗和控制脂质和/或碳水化合物代谢的化合物，因此适用于预防和/或治疗2型糖尿病、动脉硬化及其不同表现形式等疾病。本发明涉及7-氮杂吲哚、其生理上可接受的盐和功能衍生物，它们表现出高度的过氧化物酶体增殖物激活受体（PPAR）激动剂活性。本发明的化合物由式I描述：其中R基在此定义，以及它们的药学上可接受的盐、治疗方法和制备过程。这些化合物适用于治疗和/或预防脂肪酸代谢障碍和葡萄糖利用障碍以及胰岛素抵抗相关的疾病。
• OXADIAZOLONES AND DERIVATIVES THEREOF AS PEROXISOME PROLIFERATOR - ACTIVATED RECEPTOR (PPAR) DELTA AGONISTS
  申请人：KEIL Stefanie

  公开号：US20080255212A1

  公开（公告）日：2008-10-16

  The invention relates to oxadiazolones and to their physiologically acceptable salts and physiologically functional derivatives showing peroxisome proliferator activator receptor (PPAR) delta agonist activity comprising compounds of formula I, in which the R1-R7 substituents as well as the U, V, W, X Y and z radicals are as defined herein, and their physiologically acceptable salts and processes for their preparation. The compounds are suitable for the treatment and/or prevention of disorders of fatty acid metabolism and glucose utilization disorders as well as of disorders in which insulin resistance is involved; neurodegenerative diseases and/or de-myelinating disorders of the central and peripheral nervous systems and/or neurological diseases involving neuro-inflammatory processes and/or other peripheral neuropathies.

  本发明涉及氧化二氮杂环酮及其生理上可接受的盐和生理上功能衍生物，其显示过氧化物酶体增殖物激活受体（PPAR）δ激动剂活性，包括式I中的化合物，其中R1-R7取代基以及U、V、W、X、Y和z基团的定义如本文所述，以及它们的生理上可接受的盐和制备方法。这些化合物适用于治疗和/或预防脂肪酸代谢和葡萄糖利用障碍以及胰岛素抵抗涉及的疾病；中枢神经系统和/或周围神经系统的神经退行性疾病和/或去髓鞘疾病以及涉及神经炎症过程和/或其他周围神经病的神经疾病。
• METHODS FOR THE TREATMENT OF METABOLIC AND GLUCOSE UTILIZATION DISORDERS THROUGH THE ADMINISTRATION OF OXADIAZOLONES AND DERIVATIVES THEREOF AS PEROXISOME PROLIFERATOR - ACTIVATED RECEPTOR (PPAR) DELTA AGONISTS
  申请人：KEIL Stefanie

  公开号：US20080262052A1

  公开（公告）日：2008-10-23

  The invention relates to oxadiazolones and to their physiologically acceptable salts and physiologically functional derivatives showing PPARdelta agonist activity. What is described are compounds of the formula I, in which the radicals are as defined, and their physiologically acceptable salts and processes for their preparations. The compounds are suitable for the treatment and/or prevention of disorders of fatty acid metabolism and glucose utilization disorders as well as of disorders in which insulin resistance is involved; neurodegenerative diseases and/or de-myelinating disorders of the central and peripheral nervous systems and/or neurological diseases involving neuro-inflammatory processes and/or other peripheral neuropathies.

  本发明涉及氧化二唑酮及其生理上可接受的盐和生理上功能衍生物，显示PPARδ激动剂活性。所描述的化合物为公式I中的基团，其定义如上，并且它们的生理上可接受的盐和制备过程。该化合物适用于治疗和/或预防脂肪酸代谢紊乱和葡萄糖利用紊乱以及胰岛素抵抗涉及的疾病；中央和周围神经系统的神经退行性疾病和/或去髓鞘疾病和/或涉及神经炎症过程和/或其他周围神经病变的神经疾病。
• OXADIAZOLONES AND DERIVATIVES THEREOF AS PPAR DELTA AGONISTS
  申请人：KEIL Stefanie

  公开号：US20070179191A1

  公开（公告）日：2007-08-02

  The invention relates to oxadiazolones and to their physiologically acceptable salts and physiologically functional derivatives showing PPARdelta agonist activity. What is described are compounds of the formula I, in which the radicals are as defined, and their physiologically acceptable salts and processes for their preparations. The compounds are suitable for the treatment and/or prevention of disorders of fatty acid metabolism and glucose utilization disorders as well as of disorders in which insulin resistance is involved; neurodegenerative diseases and/or demyelinating disorders of the central and peripheral nervous systems and/or neurological diseases involving neuroinflammatory processes and/or other peripheral neuropathies.

  本发明涉及氧化二氮杂环酮及其生理上可接受的盐和生理功能衍生物，其具有PPARdelta激动剂活性。所描述的化合物为公式I中的基团所定义的化合物及其生理上可接受的盐和制备方法。这些化合物适用于治疗和/或预防脂肪酸代谢紊乱和葡萄糖利用紊乱以及胰岛素抵抗相关的疾病；中枢和周围神经系统的神经退行性疾病和/或脱髓鞘性疾病以及涉及神经炎性过程和/或其他周围神经病变的神经疾病。
• 1,3,4-OXADIAZOL-2-ONES AS PPAR DELTA MODULATORS AND THEIR USE THEREOF
  申请人：MCGARRY G. Daniel

  公开号：US20070060626A1

  公开（公告）日：2007-03-15

  The present invention is directed to 1,3,4-oxadiazolones, compounds of formula I and their pharmaceutically acceptable salts stereoisomers, tautomers, or solvates thereof. Novel compounds include those of formula I, in which radicals are as defined herein. The compounds of this invention are modulators of PPARdelta and therefore useful as pharmaceutical agents, especially for the treatment of demyelinating diseases and disorders of fatty acid metabolism and glucose utilization.

  本发明涉及1,3,4-噁二唑酮，化合物I的药学上可接受的盐、立体异构体、互变异构体或溶剂化物。新化合物包括式I中的基团如定义所述。本发明的化合物是PPARδ的调节剂，因此可用作药物，特别是用于治疗脱髓鞘疾病和脂肪酸代谢和葡萄糖利用障碍的治疗剂。