4-methyl-3-oxo-2-[(Z)-1-phenyl-methylidene]pentanoic acid benzyl ester | 871107-17-4

• 分子结构分类: 有机化合物 - 苯丙烷和聚酮 - 肉桂酸及其衍生物
• 英文名称: 4-methyl-3-oxo-2-[(Z)-1-phenyl-methylidene]pentanoic acid benzyl ester
• 英文别名: 4-Methyl-3-oxo-2-[1-phenyl-meth-(z)-ylidene]-pentanoic acid benzyl ester；benzyl (2Z)-2-benzylidene-4-methyl-3-oxopentanoate
• CAS: 871107-17-4
• 化学式: C₂₀H₂₀O₃
• 分子量: 308.377
• InChiKey: OGFWQFLJYXWCBF-AQTBWJFISA-N

物化性质

• 沸点：
  397.5±12.0 °C(Predicted)
• 密度：
  1.123±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  4.6
• 重原子数：
  23
• 可旋转键数：
  7
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.2
• 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：

  4-methyl-3-oxo-2-[(Z)-1-phenyl-methylidene]pentanoic acid benzyl ester 、 对氟苯甲醛 在 3-乙基-5-(2-羟乙基)-4-甲基噻唑溴化物 、 三乙胺 作用下， 以 乙醇 为溶剂， 反应 15.0h， 生成 2-[2-(4-fluorophenyl)-2-oxo-1-phenyl-ethyl]-4-methyl-3-oxo-pentanoic acid benzyl ester
  参考文献：
  名称：

  [EN] PROCESS FOR THE PREPARATION OF ATORVASTATIN
  [FR] PROCEDE DE PREPARATION D'ATORVASTATINE

  摘要：

  本发明涉及阿托伐他汀的制备过程。阿托伐他汀的化学名称为[R-(R*，R*)]-2-(4-氟苯基)-β，δ-二羟基-5-(1-甲基乙基)-3-苯基-4-[(苯氨基)羰基]-1H-吡咯烷-1-庚酸。阿托伐他汀的半钙盐可用作3-羟基-3-甲基戊二酰辅酶A还原酶（HMG-CoA还原酶）的抑制剂。本发明还涉及包括阿托伐他汀或其药学上可接受的盐的制药组合物，并且涉及使用该组合物治疗低脂血症、低胆固醇血症和动脉硬化的方法。

  公开号：

  WO2005118536A1
• 作为产物：
  描述：

  苯甲醛 、 4-methyl-3-oxopentanoic acid benzyl ester 在 哌嗪 、 溶剂黄146 作用下， 以 甲苯 为溶剂， 反应 6.0h， 生成 4-methyl-3-oxo-2-[(Z)-1-phenyl-methylidene]pentanoic acid benzyl ester
  参考文献：
  名称：

  [EN] PROCESS FOR THE PREPARATION OF ATORVASTATIN
  [FR] PROCEDE DE PREPARATION D'ATORVASTATINE

  摘要：

  本发明涉及阿托伐他汀的制备过程。阿托伐他汀的化学名称为[R-(R*，R*)]-2-(4-氟苯基)-β，δ-二羟基-5-(1-甲基乙基)-3-苯基-4-[(苯氨基)羰基]-1H-吡咯烷-1-庚酸。阿托伐他汀的半钙盐可用作3-羟基-3-甲基戊二酰辅酶A还原酶（HMG-CoA还原酶）的抑制剂。本发明还涉及包括阿托伐他汀或其药学上可接受的盐的制药组合物，并且涉及使用该组合物治疗低脂血症、低胆固醇血症和动脉硬化的方法。

  公开号：

  WO2005118536A1

文献信息

• [EN] SUBSTITUTED PYRROLE DERIVATIVES AS HMG-COA REDUCTASE INHIBITORS<br/>[FR] DERIVES DE PYRROLE SUBSTITUES UTILES COMME INHIBITEURS DE HMG-COA REDUCTASE
  申请人：RANBAXY LAB LTD

  公开号：WO2004105752A1

  公开（公告）日：2004-12-09

  The present invention relates to substituted pyrrole derivatives of Formula (I), wherein (Y), with the proviso that one of R2, R4 and R5 is a heterocycle and with the further provision that if R2 is not a heterocycle then either R4 or R5 alone is not unsubstituted pyridyl, which can be used as 3-hydroxy-3-methylglutaryl-coenzyme A (HMG-CoA) reductase inhibitors. Compounds disclosed herein can function as cholesterol lowering agents and can be used for the treatment of cholesterol-related diseases and related symptoms. Processes for the preparation of disclosed compounds are provided, as well as pharmaceutical compositions containing the disclosed compounds, and methods of treating cholesterol-related diseases and related symptoms.

  本发明涉及式（I）的取代吡咯衍生物，其中（Y），条件是R2、R4和R5中的一个是杂环，并且进一步规定如果R2不是杂环，则R4或R5中的任一者不是未取代的吡啶基，这些衍生物可用作3-羟基-3-甲基戊二酰辅酶A（HMG-CoA）还原酶抑制剂。本文披露的化合物可以作为降低胆固醇的药剂，并可用于治疗与胆固醇相关的疾病及相关症状。提供了用于制备披露的化合物的方法，以及含有披露的化合物的药物组合物和治疗与胆固醇相关的疾病及相关症状的方法。
• PROCESS FOR THE PREPARATION OF ATORVASTATIN
  申请人：Sattigeri Jitendra A.

  公开号：US20090209612A1

  公开（公告）日：2009-08-20

  The invention relates to processes for the preparation of atorvastatin. Atorvastatin is known by the chemical name [R—(R*,R*)]-2-(4-fluorophenyl)-β,δ-dihydroxy-5-(1-methylethyl)-3-phenyl-4-[(phenylamino)carbonyl]-1H-pyrrole-1-heptanoic acid. The hemi-calcium salt of atorvastatin is useful as an inhibitor of the enzyme 3-hydroxy-3-methylglutaryl-coenzyme A reductase (HMG-CoA reductase). The invention also relates to pharmaceutical compositions that include the atorvastatin or a pharmaceutically acceptable salt thereof and to use of said compositions for treating hypolipidemia, hypocholesterolemia and atherosclerosis.

  本发明涉及制备阿托伐他汀的工艺。阿托伐他汀的化学名称为[R-(R*，R*)]-2-(4-氟苯基)-β，δ-二羟基-5-(1-甲基乙基)-3-苯基-4-[(苯氨基)羰基]-1H-吡咯烷-1-庚酸。阿托伐他汀的半钙盐对3-羟基-3-甲基戊二酰辅酶A还原酶（HMG-CoA还原酶）的抑制剂具有用途。本发明还涉及包括阿托伐他汀或其药学上可接受的盐的制药组合物，以及使用所述组合物治疗低脂血症、低胆固醇血症和动脉粥样硬化的用途。
• SUBSTITUTED PYRROLE DERIVATIVES AS HMG-COA REDUCTASE INHIBITORS
  申请人：RANBAXY LABORATORIES, LTD.

  公开号：EP1643988A1

  公开（公告）日：2006-04-12
• Substituted pyrrole derivatives as hmg-coa reductase inhibitors
  申请人：Sattigeri Jitendra

  公开号：US20070149605A1

  公开（公告）日：2007-06-28

  The present invention relates to substituted pyrrole derivatives of Formula (I), wherein (Y), with the proviso that one of R 2 , R 4 and R 5 is a heterocycle and with the further provision that if R 2 is not a heterocycle then either R 4 or R 5 alone is not unsubstituted pyridyl, which can be used as 3-hydroxy-3-methylglutaryl-coenzyme A (HMG-CoA) reductase inhibitors. Compounds disclosed herein can function as cholesterol lowering agents and can be used for the treatment of cholesterol-related diseases and related symptoms. Processes for the preparation of disclosed compounds are provided, as well as pharmaceutical compositions containing the disclosed compounds, and methods of treating cholesterol-related diseases and related symptoms.
• [EN] PYRROLE COMPOUNDS AND USES THEREOF<br/>[FR] COMPOSES DE PYRROLE ET UTILISATIONS DE CEUX-CI
  申请人：AMBIT BIOSCIENCES CORP

  公开号：WO2006110918A1

  公开（公告）日：2006-10-19

  [EN] Pyrrole compounds, compositions and methods are provided for the treatment, prevention, or amelioration of neurodegenerative diseases, cardiovascular diseases, proliferative diseases and visual disorders. In particular, pyrrole compounds, compositions and methods for the treatment of stroke are disclosed herein.
  [FR] L'invention concerne des composés de pyrrole, des compositions et des procédés destinés à traiter, à prévenir ou à améliorer les maladies neurodégénératives, cardiovasculaires, les maladies prolifératives et les troubles visuels. Elle concerne en particulier des composés de pyrrole, des compositions et des procédés destinés à traiter un accident vasculaire cérébral.