(3R,5R)-7-[2-(4-fluorophenyl)-5-isopropyl-4-[(4-hydroxymethylphenylamino)carbonyl]pyrrole-1-yl]-3,5-dihydroxyheptanoic acid | 805241-79-6

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吡咯
• 英文名称: (3R,5R)-7-[2-(4-fluorophenyl)-5-isopropyl-4-[(4-hydroxymethylphenylamino)carbonyl]pyrrole-1-yl]-3,5-dihydroxyheptanoic acid
• 英文别名: (3R,5R)-7-[2-(4-fluorophenyl)-5-isopropyl-3-phenyl-4-[(4-hydroxymethylphenylamino)carbonyl]-pyrrol-1-yl]-3,5-dihydroxy-heptanoic acid；Bemfivastatin；(3R,5R)-7-[2-(4-fluorophenyl)-4-[[4-(hydroxymethyl)phenyl]carbamoyl]-3-phenyl-5-propan-2-ylpyrrol-1-yl]-3,5-dihydroxyheptanoic acid
• CAS: 805241-79-6
• 化学式: C₃₄H₃₇FN₂O₆
• 分子量: 588.676
• InChiKey: PMFRPLBQEYHUMG-VSGBNLITSA-N

物化性质

• 沸点：
  769.1±60.0 °C(Predicted)
• 密度：
  1.26±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  4.1
• 重原子数：
  43
• 可旋转键数：
  13
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.29
• 拓扑面积：
  132
• 氢给体数：
  5
• 氢受体数：
  7

反应信息

• 作为产物：
  描述：

  (3R,5R)-7-[2-(4-fluorophenyl)-4-({[4-(hydroxymethyl)phenyl]amino}carbonyl)pyrrol-1-yl]-3,5-dihydroxyheptanoic acid t-butyl ester 在 sodium hydroxide 作用下， 以 四氢呋喃 、 甲醇 、 水 为溶剂， 反应 3.0h， 以41 g的产率得到(3R,5R)-7-[2-(4-fluorophenyl)-5-isopropyl-4-[(4-hydroxymethylphenylamino)carbonyl]pyrrole-1-yl]-3,5-dihydroxyheptanoic acid
  参考文献：
  名称：

  KR2016/103248

  摘要：

  公开号：

文献信息

• PROCESS FOR PREPARATION OF (3R, 5R)-7-[2-(4-FLUOROPHENYL)-5-ISOPROPYL-3-PHENYL-4-[(4-HYDROXY METHYL PHENYL AMINO) CARBONYL]-PYRROL-1-YL]-3,5-DIHYDROXY-HEPTANOIC ACID HEMI CALCIUM SALT
  申请人：Sattigeri Jitendra Anant

  公开号：US20090118520A1

  公开（公告）日：2009-05-07

  The present invention relates to processes for the preparation of (3R, 5R)-7-[2-(4-fluorophenyl)-5-isopropyl-3-phenyl-4-[(4-hydroxy methyl phenyl amino)carbonyl]-pyrrol-1-yl]-3,5-dihydroxy-heptanoic acid hemi calcium salt.

  本发明涉及制备（3R，5R）-7-[2-(4-氟苯基)-5-异丙基-3-苯基-4-[(4-羟甲基苯氨基)羰基]吡咯-1-基]-3，5-二羟基庚酸半钙盐的方法。
• Polymorphic Forms of an HMG-CoA Reductase Inhibitor and Uses Thereof
  申请人：Yadav Gyan Chand

  公开号：US20080153896A1

  公开（公告）日：2008-06-26

  The invention provides polymorphic forms of the HMG-CoA reductase inhibitor (3R, 5R)-7-[2-(4-fluorophenyl)-5-isopropyl-3-phenyl-4-[(4-hydroxymethylphenylamino)carbonyl]-pyrrol-1-yl]-3,5-dihydroxy-heptanoic acid, hemi calcium salt. The invention also provides methods for preparing these polymorphic forms, pharmaceutical formulations containing these polymorphic forms and methods of using the polymorphic forms of this HMG-CoA reductase inhibitor.

  本发明提供了HMG-CoA还原酶抑制剂(3R,5R)-7-[2-(4-氟苯基)-5-异丙基-3-苯基-4-[(4-羟甲基苯氨基)羧酰基]-吡咯-1-基]-3,5-二羟基庚酸半钙盐的多晶形式。本发明还提供了制备这些多晶形式的方法、含有这些多晶形式的制药配方以及使用该HMG-CoA还原酶抑制剂的多晶形式的方法。
• Process For (3R, 5R)-7-[2-(4-Fluorophenyl)-5-Isopropyl-3-Phenyl-4- [(4-Hydroxy Methyl Phenyl Amino) Carbonyl]-Pyrrol-1-Yl]-3,5-Dihydroxy-Heptanoic Acid Hemi Calcium Salt
  申请人：Kaul Vijay

  公开号：US20080287690A1

  公开（公告）日：2008-11-20

  The present invention relates to processes for the manufacture of (3R, 5R)-7-[2-(4-fluorophenyl)-5-isopropyl-3-phenyl-4-[(4-hydroxy methyl phenyl amino)carbonyl]-pyrrol-1-yl]-3,5-dihydroxy-heptanoic acid hemi calcium salt.

  本发明涉及制造（3R,5R）-7-[2-(4-氟苯基)-5-异丙基-3-苯基-4-[(4-羟甲基苯氨基)羰基]吡咯-1-基]-3,5-二羟基庚酸半钙盐的工艺。
• PROCESS FOR (3R, 5R)-7-[2-(4-FLUOROPHENYL)-5-ISOPROPYL-3-PHENYL-4- [(4-HYDROXY METHYL PHENYL AMINO) CARBONYL]-PYRROL-1-YL]-3, 5-DIHYDROXY-HEPTANOIC ACID HEMI CALCIUM SALT
  申请人：KAUL Vijay

  公开号：US20120029208A1

  公开（公告）日：2012-02-02

  The present invention relates to processes for the manufacture of (3R,5R)-7-[2-(4-fluorophenyl)-5-isopropyl-3-phenyl-4-[(4-hydroxy methyl phenyl amino)carbonyl]-pyrrol- 1 -yl]-3,5-dihydroxy-heptanoic acid hemi calcium salt.

  本发明涉及制造(3R,5R)-7-[2-(4-氟苯基)-5-异丙基-3-苯基-4-[(4-羟甲基苯氨基)羰基]-吡咯-1-基]-3,5-二羟基庚酸半钙盐的工艺。
• Substituted pyrrole derivatives and their use as HMG-CO inhibitors
  申请人：Ranbaxy Laboratories Limited

  公开号：EP2319843A1

  公开（公告）日：2011-05-11

  The present invention relates to substituted pyrrole derivatives, which can be used as 2-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.

  本发明涉及可用作 2-羟基-3-甲基戊二酰辅酶 A（HMG-CoA）还原酶抑制剂的取代吡咯衍生物。本文公开的化合物可作为降低胆固醇的药物，并可用于治疗胆固醇相关疾病及相关症状。本文提供了制备所公开化合物的工艺，以及含有所公开化合物的药物组合物和治疗胆固醇相关疾病及相关症状的方法。