t-butyl 1-(5-chloropentyl)-1-cyclopropanecarboxylate | 738606-91-2

• 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: t-butyl 1-(5-chloropentyl)-1-cyclopropanecarboxylate
• 英文别名: tert-butyl 1-(5-chloropentyl)-1-cyclopropanecarboxylate；tert-butyl 1-(5-chloropentyl)cyclopropane-1-carboxylate
• CAS: 738606-91-2
• 化学式: C₁₃H₂₃ClO₂
• 分子量: 246.777
• InChiKey: QBHZDNTYSGJDAI-UHFFFAOYSA-N

物化性质

• 沸点：
  67-74 °C(Press: 0.0008 Torr)
• 密度：
  1.039±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  3.6
• 重原子数：
  16
• 可旋转键数：
  8
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.92
• 拓扑面积：
  26.3
• 氢给体数：
  0
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  t-butyl 1-(5-chloropentyl)-1-cyclopropanecarboxylate 在 盐酸 、 甲酸 、 potassium tert-butylate 、 水 、 sodium iodide 作用下， 以 二氯甲烷 、 N,N-二甲基乙酰胺 、 丁酮 为溶剂， 反应 3.0h， 生成 1-(13-ethoxy-12,12-dimethyl-6,13-dioxotridecyl)-1-cyclopropanecarboxylic acid
  参考文献：
  名称：

  α-cycloalkyl-substituted ω-keto-dicarboxylic acids as lipid regulating agents

  摘要：

  A series of cycloalkyl-substituted oxo-alkanedicarboxylic acids have been prepared by the TosMIC methodology departing from haloalkyl-substituted cycloalkylcarboxylic esters. cyclopropyl derivatives showed IC50 activity in the 0.3-1.0 muM range on the de novo incorporation of radiolabeled acetate into lipids in primary cultures of rat hepatocytes, and they showed lipid-regulating properties when tested in vivo in female obese Zucker fatty rats. (C) 2004 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmc.2004.09.046
• 作为产物：
  描述：

  1-溴-5-氯戊烷 在 正丁基锂 、 二异丙胺 作用下， 以 四氢呋喃 为溶剂， 反应 1.0h， 以73%的产率得到t-butyl 1-(5-chloropentyl)-1-cyclopropanecarboxylate
  参考文献：
  名称：

  [EN] HYDROXYL COMPOUNDS AND COMPOSITIONS FOR CHOLESTEROL MANAGEMENT AND RELATED USES
  [FR] COMPOSES HYDROXYLES ET COMPOSITIONS DE REGULATION DU CHOLESTEROL ET UTILISATIONS ASSOCIEES

  摘要：

  公开号：

  WO2004067489A3

文献信息

• Pd(II)-Catalyzed Enantioselective C(sp³)–H Arylation of Free Carboxylic Acids
  作者：Peng-Xiang Shen、Liang Hu、Qian Shao、Kai Hong、Jin-Quan Yu

  DOI：10.1021/jacs.8b03509

  日期：2018.5.30

  chiral ligand based on an ethylenediamine backbone was developed to achieve Pd-catalyzed enantioselective C(sp3)-H arylation of cyclopropanecarboxylic and 2-aminoisobutyric acids without using exogenous directing groups. This new chiral catalyst affords new disconnection for preparing diverse chiral carboxylic acids from simple starting materials that are complementary to the various ring forming approaches

  开发了一种基于乙二胺骨架的单保护氨基乙胺手性配体，以实现 Pd 催化的环丙烷羧酸和 2-氨基异丁酸的对映选择性 C(sp3)-H 芳基化，而无需使用外源性导向基团。这种新的手性催化剂为从与各种成环方法互补的简单起始材料制备各种手性羧酸提供了新的断开连接。
• Ketone compounds and compositions for cholesterol management and related uses
  申请人：——

  公开号：US20040198814A1

  公开（公告）日：2004-10-07

  The present invention relates to novel ketone compounds, compositions comprising ketone compounds, and methods useful for treating and preventing cardiovascular diseases, dyslipidemias, dysproteinemias, and glucose metabolism disorders comprising administering a composition comprising a ketone 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.

  本发明涉及新型酮化合物、含有酮化合物的组合物，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，包括给予含有酮化合物的组合物。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、综合征X、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、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、组合物和方法可与其他治疗药物（如降胆固醇和降血糖药物）联合使用。
• [EN] KETONE COMPOUNDS AND COMPOSITIONS FOR CHOLESTEROL MANAGEMENT AND RELATED USES<br/>[FR] COMPOSES A FONCTION CETONE ET COMPOSITIONS POUR LE CONTROLE DE CHOLESTEROL ET UTILISATIONS ASSOCIEES
  申请人：ESPERION THERAPEUTICS INC

  公开号：WO2005068412A1

  公开（公告）日：2005-07-28

  The present invention relates to novel ketone compounds, compositions comprising ketone compounds, and methods useful for treating and preventing cardiovascular diseases, dyslipidemias, dysproteinemias, and glucose metabolism disorders comprising administering a composition comprising a ketone 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.

  本发明涉及新型酮化合物、含有酮化合物的组合物，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，包括给予含有酮化合物的组合物。该发明的化合物、组合物和方法也适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、组合物和方法还适用于与其他治疗药物联合治疗，如降胆固醇和降糖药物。
• 取代的十五烷二酸化合物及药物组合物及其用途
  申请人：深圳市塔吉瑞生物医药有限公司

  公开号：CN110054562B

  公开（公告）日：2022-04-22

  本发明提供了一种取代的十五烷二酸化合物及包含该化合物的组合物及其用途，所述的化合物如式(I)所示的化合物，或其药学上可接受的盐、前药、水合物或溶剂合物、晶型、立体异构体或同位素变体。本发明化合物可用于治疗或预防心血管疾病或血脂异常，同时具有更优良的药代动力学性质。
• Cycloalkyl-hydroxyl compounds and compositions for cholesterol management and related uses
  申请人：——

  公开号：US20040209847A1

  公开（公告）日：2004-10-21

  The present invention relates to novel cycloalkyl-hydroxyl compounds, compositions comprising hydroxyl compounds, and methods useful for treating and preventing a variety of diseases and conditions such as, but not limited to aging, Alzheimer's Disease, cancer, cardiovascular disease, diabetic nephropathy, diabetic retinopathy, a disorder of glucose metabolism, dyslipidemia, dyslipoproteinemia, hypertension, impotence, inflammation, insulin resistance, lipid elimination in bile, obesity, oxysterol elimination in bile, pancreatitis, Parkinson's disease, a peroxisome proliferator activated receptor-associated disorder, phospholipid elimination in bile, renal disease, septicemia, Syndrome X, thrombotic disorder. Compounds and methods of the invention can also be used to modulate C reactive protein or enhance bile production in a patient. 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.

  本发明涉及新型环烷基-羟基化合物、包含羟基化合物的组合物以及用于治疗和预防各种疾病和状况的方法，例如但不限于老化、阿尔茨海默病、癌症、心血管疾病、糖尿病肾病、糖尿病视网膜病变、葡萄糖代谢紊乱、血脂异常、高血压、阳痿、炎症、胰腺炎、帕金森病、过氧化物酶体增殖物激活受体相关疾病、胆汁中的脂质消除、肥胖症、胆汁中的氧化固醇消除、肾脏疾病、败血症、X综合症、血栓性疾病。本发明的化合物和方法还可用于调节C反应蛋白或增强患者的胆汁产生。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剂一起使用，可用于联合治疗。