(4-ethoxy-2-oxo-cyclopent-3-enyl)-oxo-acetic acid tert-butyl ester | 851776-62-0

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: (4-ethoxy-2-oxo-cyclopent-3-enyl)-oxo-acetic acid tert-butyl ester
• 英文别名: tert-butyl (4-ethoxy-2-oxocyclopent-3-ene-1-yl)(oxo)acetate；(4-Ethoxy-2-oxo-cyclopent-3-enyl)oxo-acetic acid tert-butyl ester；tert-butyl 2-(4-ethoxy-2-oxocyclopent-3-en-1-yl)-2-oxoacetate
• CAS: 851776-62-0
• 化学式: C₁₃H₁₈O₅
• 分子量: 254.283
• InChiKey: AFCHHJOZMYNWKW-UHFFFAOYSA-N

物化性质

• 沸点：
  387.6±42.0 °C(Predicted)
• 密度：
  1.14±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  1.6
• 重原子数：
  18
• 可旋转键数：
  6
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.62
• 拓扑面积：
  69.7
• 氢给体数：
  0
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  (4-ethoxy-2-oxo-cyclopent-3-enyl)-oxo-acetic acid tert-butyl ester 在 三聚氯氰 、 氨 、 溶剂黄146 、 盐酸-N-乙基-Nˊ-(3-二甲氨基丙基)碳二亚胺 、 三氟乙酸 作用下， 以 1,4-二氧六环 、 乙醇 、 二氯甲烷 、 水 、 N,N-二甲基甲酰胺 为溶剂， 反应 39.25h， 生成 1-benzyl-5-oxo-1,4,5,6-tetrahydro-cyclopentapyrazole-3-carbonitrile
  参考文献：
  名称：

  WO2006/113150

  摘要：

  公开号：
• 作为产物：
  描述：

  二叔丁基草酸酯 在 lithium diisopropyl amide 作用下， 以 四氢呋喃 为溶剂， 反应 0.75h， 生成 (4-ethoxy-2-oxo-cyclopent-3-enyl)-oxo-acetic acid tert-butyl ester
  参考文献：
  名称：

  WO2006/113150

  摘要：

  公开号：

文献信息

• [EN] TETRAZOLE DERIVATIVES AND METHODS OF TREATMENT OF METABOLIC-RELATED DISORDERS THEREOF<br/>[FR] DERIVES DE TETRAZOLE ET METHODES DE TRAITEMENT DE TROUBLES LIES AU METABOLISME
  申请人：ARENA PHARM INC

  公开号：WO2005044816A1

  公开（公告）日：2005-05-19

  The present invention relates to certain tetrazole derivatives of Formula (I), and pharmaceutically acceptable salts thereof, which exhibit useful pharmacological properties, for example, as agonists for the RUP25 receptor. Also provided by the present invention are pharmaceutical compositions containing compounds of the invention, and methods of using the compounds and compositions of the invention in the treatment of metabolic-related disorders, including dyslipidemia, atherosclerosis, coronary heart disease, insulin resistance, type 2 diabetes, Syndrome-X and the like. In addition, the present invention also provides for the use of the compounds of the invention in combination with other active agents such as those belonging to the class of α-glucosidase inhibitors, aldose reductase inhibitors, biguanides, HMG-CoA reductase inhibitors, squalene synthesis inhibitors, fibrates, LDL catabolism enhancers, angiotensin converting enzyme (ACE) inhibitors, insulin secretion enhancers and the like.

  本发明涉及公式（I）的某些四唑衍生物及其药学上可接受的盐，这些衍生物表现出有用的药理特性，例如作为RUP25受体的激动剂。本发明还提供了含有本发明化合物的药物组合物，以及在治疗代谢相关疾病，包括脂质代谢异常、动脉粥样硬化、冠心病、胰岛素抵抗、2型糖尿病、X综合征等方面使用本发明化合物和组合物的方法。此外，本发明还提供了将本发明化合物与其他活性剂结合使用的方法，这些活性剂属于α-葡萄糖苷酶抑制剂、醛糖还原酶抑制剂、双胍类药物、HMG-CoA还原酶抑制剂、角鲨烯合成抑制剂、贝特类药物、LDL降解增强剂、血管紧张素转化酶（ACE）抑制剂、胰岛素分泌增强剂等类别。
• Tetrazole derivatives and methods of treatment of metabolic-related disorders thereof
  申请人：Semple Graeme

  公开号：US20060217562A1

  公开（公告）日：2006-09-28

  The present invention relates to certain tetrazole derivatives of Formula (I), and pharmaceutically acceptable salts thereof, which exhibit useful pharmacological properties, for example, as agonists for the RUP25 receptor. Also provided by the present invention are pharmaceutical compositions containing compounds of the invention, and methods of using the compounds and compositions of the invention in the treatment of metabolic-related disorders, including dyslipidemia, atherosclerosis, coronary heart disease, insulin resistance, type 2 diabetes, Syndrome-X and the like. In addition, the present invention also provides for the use of the compounds of the invention in combination with other active agents such as those belonging to the class of α-glucosidase inhibitors, aldose reductase inhibitors, biguanides, HMG-CoA reductase inhibitors, squalene synthesis inhibitors, fibrates, LDL catabolism enhancers, angiotensin converting enzyme (ACE) inhibitors, insulin secretion enhancers and the like.

  本发明涉及公式（I）的某些四唑衍生物及其药学上可接受的盐，这些化合物具有有用的药理学特性，例如作为RUP25受体激动剂。本发明还提供了含有本发明化合物的制药组合物，并提供了使用本发明化合物和组合物治疗代谢相关疾病的方法，包括血脂异常、动脉粥样硬化、冠心病、胰岛素抵抗、2型糖尿病、X综合症等。此外，本发明还提供了将本发明化合物与属于α-葡萄糖苷酶抑制剂、醛还原酶抑制剂、双胍类药物、HMG-CoA还原酶抑制剂、角鲨烷合成抑制剂、费布拉特类药物、LDL降解增强剂、血管紧张素转化酶（ACE）抑制剂、胰岛素分泌增强剂等类别的其他活性剂结合使用的方法。
• Niacin receptor agonists, compositions containing such compounds and methods of treatment
  申请人：Imbriglio Jason E.

  公开号：US20090054423A1

  公开（公告）日：2009-02-26

  The present invention encompasses compounds of Formula I: as well as pharmaceutically acceptable salts and hydrates thereof, that are useful for treating dyslipidemias. Pharmaceutical compositions and methods of use are also included.

  本发明涵盖了I式化合物，以及其药学上可接受的盐和水合物，用于治疗血脂异常。此外，还包括药物组合物和使用方法。
• GPR109a agonists. Part 1: 5-Alkyl and 5-aryl-pyrazole–tetrazoles as agonists of the human orphan G-protein coupled receptor GPR109a
  作者：Jason E. Imbriglio、Sookhee Chang、Rui Liang、Subharekha Raghavan、Darby Schmidt、Abby Smenton、Scott Tria、Thomas O. Schrader、Jae-Kyu Jung、Craig Esser、Andrew K.P. Taggart、Kang Cheng、Ester Carballo-Jane、M. Gerard Waters、James R. Tata、Steven L. Colletti

  DOI：10.1016/j.bmcl.2009.03.014

  日期：2009.4

  5-Alkyl and aryl-pyrazole-tetrazoles have been identified as a new class of selective, small-molecule, agonists of the human G-protein-coupled receptor GPR109a, a high affinity receptor for the HDL-raising drug nicotinic acid. (C) 2009 Elsevier Ltd. All rights reserved.
• TETRAZOLE DERIVATIVES AND METHODS OF TREATMENT OF METABOLIC-RELATED DISORDERS THEREOF
  申请人：Arena Pharmaceuticals, Inc.

  公开号：EP1599469A1

  公开（公告）日：2005-11-30