t-butyl 1-{9-[1-(t-butoxycarbonyl)cyclopropyl]-5-isocyano-5-[(4-methylphenyl)sulfonyl]nonyl}-1-cyclopropanecarboxylate | 738606-87-6

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: t-butyl 1-{9-[1-(t-butoxycarbonyl)cyclopropyl]-5-isocyano-5-[(4-methylphenyl)sulfonyl]nonyl}-1-cyclopropanecarboxylate
• 英文别名: tert-butyl 1-{9-[1-(tert-butoxycarbonyl)cyclopropyl]-5-isocyano-5-[(4-methylphenyl)sulfonyl]nonyl}-1-cyclopropanecarboxylate；tert-butyl 1-[5-isocyano-5-(4-methylphenyl)sulfonyl-9-[1-[(2-methylpropan-2-yl)oxycarbonyl]cyclopropyl]nonyl]cyclopropane-1-carboxylate
• CAS: 738606-87-6
• 化学式: C₃₃H₄₉NO₆S
• 分子量: 587.821
• InChiKey: LOHQXENDMMNHDX-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  6.7
• 重原子数：
  41
• 可旋转键数：
  18
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.73
• 拓扑面积：
  99.5
• 氢给体数：
  0
• 氢受体数：
  7

反应信息

• 作为反应物：
  描述：

  t-butyl 1-{9-[1-(t-butoxycarbonyl)cyclopropyl]-5-isocyano-5-[(4-methylphenyl)sulfonyl]nonyl}-1-cyclopropanecarboxylate 在 盐酸 、 水 作用下， 以 二氯甲烷 为溶剂， 反应 1.0h， 以49%的产率得到t-Butyl 1-[9-[1-(tert-butoxycarbonyl)cyclopropyl]-5-oxononyl]-1-cyclopropanecarboxylate
  参考文献：
  名称：

  [EN] KETONE COMPOUNDS AND COMPOSITIONS FOR CHOLESTEROL MANAGEMENT AND RELATED USES
  [FR] COMPOSES A FONCTION CETONE ET COMPOSITIONS POUR LE CONTROLE DE CHOLESTEROL ET UTILISATIONS ASSOCIEES

  摘要：

  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。

  公开号：

  WO2005068412A1
• 作为产物：
  描述：

  t-butyl 1-(4-bromobutyl)-1-cyclopropanecarboxylate 在 对甲基苯磺酰甲基异腈 、 四丁基碘化铵 、 sodium hydride 作用下， 以 二甲基亚砜 为溶剂， 反应 2.34h， 生成 t-butyl 1-{9-[1-(t-butoxycarbonyl)cyclopropyl]-5-isocyano-5-[(4-methylphenyl)sulfonyl]nonyl}-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

• 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。
• 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。
• Cycloalkyl-Hydroxyl Compounds and Compositions for Cholesterol Management and Related Uses
  申请人：Dasseux Henri Jean-Louis

  公开号：US20060229281A1

  公开（公告）日：2006-10-12

  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病况的方法，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、胆汁中脂质排泄、肥胖症、胆汁中氧化固醇排泄、胰腺炎、帕金森病、过氧化物酶体增殖剂激活受体相关疾病、胆汁中磷脂排泄、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（例如降胆固醇和降血糖剂）一起使用可用于联合治疗。
• Cycloalkyl-Hydroxyl Compounds and Compositions for Cholesterol Management
  申请人：Dasseux Jean-Louis Henri

  公开号：US20080249166A1

  公开（公告）日：2008-10-09

  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病症的方法，例如但不限于衰老、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、胆汁中脂质消除、肥胖症、胆汁中氧化固醇消除、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、组合物和方法可与其他治疗剂，如降胆固醇和降血糖药物一起使用。
• KETONE COMPOUNDS AND COMPOSITIONS FOR CHOLESTEROL MANAGEMENT AND RELATED USES
  申请人：Dasseux Henri Jean-Louis

  公开号：US20070149615A9

  公开（公告）日：2007-06-28

  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.

  本发明涉及新型酮类化合物、包含酮类化合物的组合物以及用于治疗和预防心血管疾病、脂质代谢异常、蛋白质代谢异常和葡萄糖代谢紊乱的方法，其中包括给予含有酮类化合物的组合物。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、组合物和方法可与其他治疗剂（如降胆固醇和降血糖药物）联合治疗。