atorvastatin lactone | 1119697-15-2

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吡咯
• 英文名称: atorvastatin lactone
• 英文别名: 5-(4-fluorophenyl)-1-[2-[(2R,4S)-4-hydroxy-6-oxooxan-2-yl]ethyl]-N,4-diphenyl-2-propan-2-ylpyrrole-3-carboxamide
• CAS: 1119697-15-2
• 化学式: C₃₃H₃₃FN₂O₄
• 分子量: 540.634
• InChiKey: OUCSEDFVYPBLLF-RRPNLBNLSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.7
• 重原子数：
  40
• 可旋转键数：
  8
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.27
• 拓扑面积：
  80.6
• 氢给体数：
  2
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  atorvastatin lactone 、 potassium hydroxide 在 水 作用下， 以 四氢呋喃 为溶剂， 4.0 ℃ 、101.33 kPa 条件下， 生成 atorvastatin potassium
  参考文献：
  名称：

  SOLID STATES OF ATORVASTATIN POTASSIUM

  摘要：

  提供Atorvastatin钾晶体形式A、B、E、F和G。还提供了制备Atorvastatin钾晶体形式A、B、E、F和G的方法。Atorvastatin钾晶体形式A、B、E、F和G可用于制备用于治疗高胆固醇血症或高脂血症的药物组合物。

  公开号：

  US20100041731A1
• 作为产物：
  描述：

  methyl 7-<2-(4-fluorophenyl)-5-(1-methylethyl)-3-phenyl-4-<(phenylamino)carbonyl>-1H-pyrrol-1-yl>-5-hydroxy-3-oxo-1-heptanoate 在 sodium hydroxide 、 sodium tetrahydroborate 、 三丁基硼 、 双氧水 作用下， 以 甲苯 为溶剂， 反应 9.0h， 生成 atorvastatin lactone
  参考文献：
  名称：

  Inhibitors of cholesterol biosynthesis. 3. Tetrahydro-4-hydroxy-6-[2-(1H-pyrrol-1-yl)ethyl]-2H-pyran 2-one inhibitors of HMG-CoA reductase. 2. Effects of introducing substituents at positions three and four of the pyrrole nucleus

  摘要：

  A series of trans-tetrahydro-4-hydroxy-6-[2-(2,3,4,5-substituted-1H-pyrrol-1-yl)ethyl]-2H-pyran-2-ones and their dihydroxy acids were prepared and tested for their ability to inhibit the enzyme HMG-CoA reductase in vitro. Inhibitory potency was found to increase substantially when substituents were introduced into positions three and four of the pyrrole ring. A systematic exploration of structure-activity relationships at these two positions led to the identification of a compound ((+)-33, (+)-(4R)-trans-2-(4-fluorophenyl)-5-(1-methylethyl)-N,3-diphenyl-1-[(tetrahydro-4-hydroxy-6-oxo-2H-pyran-2-yl)ethyl]-1H-pyrrole-4-carboxamide) with five times the inhibitory potency of the fungal metabolite compactin.

  DOI：

  10.1021/jm00105a056

文献信息

• [EN] NOVEL CLASS OF COMPOUNDS FOR THE TREATMENT OF CARDIOVASCULAR DISEASE<br/>[FR] NOUVELLE CLASSE DE COMPOSÉS DESTINÉS AU TRAITEMENT D'UNE MALADIE CARDIOVASCULAIRE
  申请人：STICHTING KATHOLIEKE UNIV

  公开号：WO2017137469A1

  公开（公告）日：2017-08-17

  The present invention relates to the field of medicine, specifically the field of treatment and prevention of cardiovascular diseases.

  本发明涉及医学领域，具体是心血管疾病的治疗和预防领域。
• Crystalline forms of atorvastatin
  申请人：Levi Sigalit

  公开号：US20090018182A1

  公开（公告）日：2009-01-15

  Novel forms of atorvastatin hemi-calcium have been prepared and characterized. These novel forms are particularly useful in pharmaceutical compositions.
• NOVEL CLASS OF COMPOUNDS FOR THE TREATMENT OF CARDIOVASCULAR DISEASE
  申请人：STICHTING KATHOLIEKE UNIVERSITEIT

  公开号：US20190038588A1

  公开（公告）日：2019-02-07

  The present invention relates to the field of medicine, specifically the field of treatment and prevention of cardiovascular diseases.
• Novel class of compounds for the treatment of cardiovascular disease.
  申请人：Stichting Katholieke Universiteit

  公开号：US20210169838A1

  公开（公告）日：2021-06-10

  The present invention relates to the field of medicine, specifically the field of treatment and prevention of cardiovascular diseases.
• US8071638B2
  申请人：——

  公开号：US8071638B2

  公开（公告）日：2011-12-06