Atorvastatin dibenzylamine

• 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 dibenzylamine
• 英文别名: N-benzyl-1-phenylmethanamine;(3R,5R)-7-[2-(4-fluorophenyl)-3-phenyl-4-(phenylcarbamoyl)-5-propan-2-ylpyrrol-1-yl]-3,5-dihydroxyheptanoic acid
• 化学式: C₅₃H₄₇N₆O₁₀PolS₂
• 分子量: 755.9
• InChiKey: AYOQQCDWVCNDOL-CNZCJKERSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  9.29
• 重原子数：
  56
• 可旋转键数：
  16
• 环数：
  6.0
• sp3杂化的碳原子比例：
  0.23
• 拓扑面积：
  124
• 氢给体数：
  5
• 氢受体数：
  7

反应信息

• 作为反应物：
  描述：

  Atorvastatin dibenzylamine 在 乙醇 、 肼 作用下， 以 水 为溶剂， 反应 18.0h， 生成 [R-(R*,R*)]-2-(4-fluorophenyl)-β,δ-dihydroxy-5-(1-methylethyl)-3-phenyl-4-[(phenylamino)carbonyl]-1H-pyrrole-1-heptanoic acid; ammonium salt
  参考文献：
  名称：

  [EN] POLYAMINE ANALOGS THAT ACTIVATE ANTIZYME FRAMESHIFTING
  [FR] ANALOGUES DE POLYAMINE QUI ACTIVENT LE DEPHASAGE ANTI-ENZYME

  摘要：

  本发明提供了新型多胺化合物的合成及其在药物、化妆品或农业应用中的使用。这些多胺化合物能够诱导抗酶的产生，从而下调鸟氨酸脱羧酶（ODC）产生的多胺化合物以及相应的多胺转运蛋白对多胺的运输。这些化合物将优先独立于多胺转运蛋白进入细胞。作为药物，这些化合物被用于治疗与细胞增殖有关的任何疾病，包括但不限于癌症。

  公开号：

  WO2005105729A1
• 作为产物：
  描述：

  阿托伐他汀 、 二苄胺 以 乙腈 为溶剂， 反应 96.0h， 生成 Atorvastatin dibenzylamine
  参考文献：
  名称：

  [EN] SALT FORMS OF ATORVASTATIN
  [FR] FORMES SALINES D'ACIDE [R-(R*, R*)]-2-(4-FLUOROPHENYL)-BETA, DELTA-DIHYDROXY-5-(1-METHYLETHYL)-3-PHENYL-4-[(PHENYLAMINO)CARBONYL]-1H-PYRROLE-1-HEPTANOIQUE

  摘要：

  公开号：

  WO2005105738A3

文献信息

• Salt forms of [R-(R*,R*)]-2-(4-fluorophenyl)-beta, delta-dihydroxy-5-(1-methylethyl)-3-phenyl-4-[(phenylamino)carbonyl]-1H-pyrrole-1-heptanoic acid
  申请人：Campeta Anthony Michael

  公开号：US20080188652A1

  公开（公告）日：2008-08-07

  Novel salt forms of [R—(R*,R*)]-2-(4-fluorophenyl)-β,δ-dihydroxy-5-(1-methylethyl)-3-phenyl-4-[(phenylamino)carbonyl]-1H-pyrrole-1-heptanoic acid characterized by their X-ray powder diffraction pattern and solid-state NMR spectra are described, as well as methods for the preparation and pharmaceutical composition of the same, which are useful as agents for treating hypedlipidemia, hypercholesterolemia, osteoporosis, benign prostatic hyperplasia, and Alzheimer's Disease.

  本发明涉及一种[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-1-庚酸的新型盐形式，其特征在于其X射线粉末衍射图谱和固态NMR谱。本发明还涉及制备该盐形式的方法和制备药物组合物的方法，该药物组合物可用作治疗高脂血症、高胆固醇血症、骨质疏松症、良性前列腺增生症和阿尔茨海默病的药物。
• Salt Forms of [R-(R*,R*)*rsqb;-2-(4-Fluorophenyl)-Beta, Delta-Dihydroxy-5-1-Methylethyl)-3-Phenyl-4-[(Phenylamino)Carbonyl]-1H-Pyrrole-1-Heptanoic Acid
  申请人：Campeta Anthony Michael

  公开号：US20080171872A1

  公开（公告）日：2008-07-17

  Novel salt forms of [R—(R*,R*)]-2-(4-fluorophenyl)-β,δ-dihydroxy-5-(1-methylethyl)-3-phenyl-4-[(phenylamino)carbonyl]-1H-pyrrole-1-heptanoic acid characterized by their X-ray powder diffraction pattern and solid-state NMR spectra are described, as well as methods for the preparation and pharmaceutical composition of the same, which are useful as agents for treating hyperlipidemia, hypercholesterolemia, osteoporosis, benign prostatic hyperplasia, and Alzheimer's Disease.

  描述了[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-1-庚酸的新型盐形态，其具有X射线粉末衍射图案和固态NMR光谱特征，同时也描述了制备这些盐形态的方法和制备药物组合物的方法，这些药物组合物可用于治疗高脂血症、高胆固醇血症、骨质疏松症、良性前列腺增生和阿尔茨海默病。
• Salt Forms of [R-(R*,R*)]-2-(4-Fluorophenyl)-beta, alpha-dihydroxy-5-(1-methylethyl)-3-phenyl-4-[(phenylamino)carbonyl]-1H-pyrrole-1-Heptanoic Acid
  申请人：Campeta Anthony Michael

  公开号：US20110172443A1

  公开（公告）日：2011-07-14

  Novel salt forms of [R—(R*,R*)]-2-(4-fluorophenyl)-β,δ-dihydroxy-5-(1-methylethyl)-3-phenyl-4-[(phenylamino)carbonyl]-1H-pyrrole-1-heptanoic acid characterized by their X-ray powder diffraction pattern and solid-state NMR spectra are described, as well as methods for the preparation and pharmaceutical composition of the same, which are useful as agents for treating hyperlipidemia, hypercholesterolemia, osteoporosis, benign prostatic hyperplasia, and Alzheimer's Disease.

  本文描述了[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-1-庚酸的新型盐形态，其特征是其X射线粉末衍射图谱和固态核磁共振光谱，以及制备这些盐形态的方法和药物组合物，可用作治疗高脂血症、高胆固醇血症、骨质疏松症、良性前列腺增生症和阿尔茨海默病的药物。
• Salt forms of [R-(R*,R*)]-2-(4-flurorophenyl)-beta, delta-dihydroxy-5-(1-methylethyl)-3-phenyl-4-[phenylamino)carbonyl]-1H-pyrrole-1-heptanoic acid
  申请人：Campeta Anthony Michael

  公开号：US20120264934A1

  公开（公告）日：2012-10-18

  Novel salt forms of [R—(R*,R*)]-2-(4-fluorophenyl)-β,δ-dihydroxy-5-(1-methylethyl)-3-phenyl-4-[(phenylamino)carbonyl]-1H-pyrrole-1-heptanoic acid characterized by their X-ray powder diffraction pattern and solid-state NMR spectra are described, as well as methods for the preparation and pharmaceutical composition of the same, which are useful as agents for treating hyperlipidemia, hypercholesterolemia, osteoporosis, benign prostatic hyperplasia, and Alzheimer's Disease.

  本文介绍了[R—（R*，R*）]-2-（4-氟苯基）-β，δ-双羟基-5-（1-甲基乙基）-3-苯基-4-[(苯基氨基）-羰基]-1H-吡咯-1-庚酸的新型盐形，其具有X射线粉末衍射图谱和固态核磁共振光谱的特征，同时介绍了制备和制药组合物的方法，该组合物可用于治疗高脂血症，高胆固醇血症，骨质疏松症，良性前列腺增生症和阿尔茨海默病等疾病。
• Salt forms of [R-(R*,R*)]-2-(4-fluorophenyl)-beta, delta-dihydroxy-5-(1-methylethyl)-3-phenyl-4-[phenylamino)carbonyl]-1H-pyrrole-1-heptanoic acid
  申请人：Pfizer Inc.

  公开号：US20140005384A1

  公开（公告）日：2014-01-02

  Novel salt forms of [R—(R*,R*)]-2-(4-fluorophenyl)-β,δ-dihydroxy-5-(1-methylethyl)-3-phenyl-4-[(phenylamino)carbonyl]-1H-pyrrole-1-heptanoic acid characterized by their X-ray powder diffraction pattern and solid-state NMR spectra are described, as well as methods for the preparation and pharmaceutical composition of the same, which are useful as agents for treating hyperlipidemia, hypercholesterolemia, osteoporosis, benign prostatic hyperplasia, and Alzheimer's Disease.

  本文描述了[R—(R*,R*)]-2-(4-氟苯基)-β，δ-双羟基-5-(1-甲基乙基)-3-苯基-4-[(苯氨基)羰基]-1H-吡咯烷-1-庚酸的新型盐形态，其特征为其X射线粉末衍射图谱和固态NMR谱图。同时，本文还介绍了制备该盐形态的方法和药物组合物，该药物组合物可用于治疗高脂血症、高胆固醇血症、骨质疏松症、良性前列腺增生和阿尔茨海默病。