phthalic acid mono-[1-(2,6-diphenyl-pyrimidin-4-yl)-piperidin-4-yl] ester | 881194-38-3

• 分子结构分类: 有机化合物 - 有机杂环化合物
• 英文名称: phthalic acid mono-[1-(2,6-diphenyl-pyrimidin-4-yl)-piperidin-4-yl] ester
• 英文别名: Phthalic acid mono-[1-(2,6-diphenyl-pyrimidin-4-yl)-piperidin-4-yl]ester；2-[1-(2,6-diphenylpyrimidin-4-yl)piperidin-4-yl]oxycarbonylbenzoic acid
• CAS: 881194-38-3
• 化学式: C₂₉H₂₅N₃O₄
• 分子量: 479.535
• InChiKey: GPWJZLUEJAKGGH-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.6
• 重原子数：
  36
• 可旋转键数：
  7
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.17
• 拓扑面积：
  92.6
• 氢给体数：
  1
• 氢受体数：
  7

反应信息

• 作为产物：
  描述：

  1-(2,6-diphenyl-pyrimidin-4-yl)-piperidin-4-ol 、 苯酐 在 4-二甲氨基吡啶 作用下， 以 1,2-二氯乙烷 为溶剂， 反应 2.0h， 生成 phthalic acid mono-[1-(2,6-diphenyl-pyrimidin-4-yl)-piperidin-4-yl] ester
  参考文献：
  名称：

  Novel pyrimidine compounds, process for their preparation and compositions containing them

  摘要：

  本发明提供了新的杂环化合物，特别是取代的嘧啶，制备和使用这些杂环化合物的方法和组合物，以及治疗各种疾病和疾病状态的方法，包括动脉粥样硬化、关节炎、再狭窄、糖尿病肾病或血脂异常，或由Perlecan低表达介导的疾病状态。

  公开号：

  US20060084645A1

文献信息

• Crystal Comprising (2R)-2-Propyloctanoic Acid and Amine
  申请人：Hasegawa Tomoyuki

  公开号：US20080090907A1

  公开（公告）日：2008-04-17

  Crystals comprising (2R)-2-propyloctoic acid and an amine which retain the pharmacological effect of (2R)-2-propyloctoic acid and can be safely used as a medicinal raw drug for peroral solid preparations. Of these crystals, the crystals especially with dibenzylamine are advantageous because not only the crystals themselves are useful as a medicinal raw drug but also use of the crystals as an intermediate can yield (2R)-2-propyloctoic acid having an optical purity exceeding 99.5% e.e., which has not been obtained hitherto.

  这段话的意思是：由（2R）-2-丙基辛酸和胺组成的晶体保留了（2R）-2-丙基辛酸的药理作用，并可安全用作口服固体制剂的药用原料。其中，特别是含二苄胺的晶体具有优势，因为这些晶体不仅本身有药用价值，而且将这些晶体用作中间体，可以得到光学纯度超过99.5% e.e.的（2R）-2-丙基辛酸，这在以前还没有得到过。
• Pyrimidine compounds, process for their preparation and compositions containing them
  申请人：Dr. Reddy's Laboratories Ltd.

  公开号：US07820654B2

  公开（公告）日：2010-10-26

  The present invention is directed to a compounds, methods and compositions for making the compounds and methods of treating a variety of diseases and disease states including atherosclerosis, arthritis, restenosis, diabetic nephropathy, or dyslipidemia, or disease states mediated by the low expression of Perlecan, comprising the administration of new heterocyclic compounds, particularly substituted pyrimidines. The present invention is directed to novel compounds represented by the general formula:

  本发明涉及一种化合物、制备该化合物的方法和组合物，以及治疗多种疾病和疾病状态的方法，包括动脉粥样硬化、关节炎、再狭窄、糖尿病肾病或血脂异常，或由Perlecan表达低下介导的疾病状态，包括给予新的杂环化合物，特别是取代嘧啶。本发明涉及由一般公式表示的新型化合物：
• CRYSTAL COMPRISING (2R)-2-PROPYLOCTANOIC ACID AND AMINE
  申请人：HASEGAWA Tomoyuki

  公开号：US20100331414A1

  公开（公告）日：2010-12-30

  According to the present invention, crystals comprising (2R)-2-propyloctanoic acid and an amine, which can be used as bulk drugs for safely orally administrable solid preparations with keeping the pharmacological effect, are provided. Among these crystals, the crystal with dibenzylamine per se is particularly useful as bulk drug for pharmaceuticals and can be used as an intermediate to produce (2R)-2-propyloctanoic acid having an optical purity of more than 99.5% e.e. which has not been obtained.

  根据本发明，提供了包含（2R）-2-丙基辛酸和胺的晶体，可用作安全口服固体制剂的原料药，并保持其药理作用。在这些晶体中，具有二苯甲胺的晶体特别适用于制药的原料药，并可用作中间体生产光学纯度高于99.5% e.e.的（2R）-2-丙基辛酸，这是尚未获得的。
• CRYSTAL COMPRISING (2R)-2-PROPYLOCTOIC ACID AND AMINE
  申请人：ONO PHARMACEUTICAL CO., LTD.

  公开号：EP1741697A1

  公开（公告）日：2007-01-10

  According to the present invention, crystals comprising (2R)-2-propyloctanoic acid and an amine, which can be used as bulk drugs for safely orally administrable solid preparations with keeping the pharmacological effect, are provided. Among these crystals, the crystal with dibenzylamine per se is particularly useful as bulk drug for pharmaceuticals and can be used as an intermediate to produce (2R)-2-propyloctanoic acid having an optical purity of more than 99.5%e.e. which has not been obtained.

  根据本发明，提供了由(2R)-2-丙辛酸和胺组成的晶体，这些晶体可用作安全口服固体制剂的原药，并保持药理作用。在这些晶体中，本身含有二苄胺的晶体特别适用于作为药物散剂，并可用作中间体来生产光学纯度超过 99.5%e.e.的(2R)-2-丙辛酸。
• [EN] NOVEL PYRIMIDINE COMPOUNDS, PROCESS FOR THEIR PREPARATION AND COMPOSITIONS CONTAINING THEM<br/>[FR] NOUVEAUX COMPOSES DE PYRIMIDINE, LEUR PROCEDE DE PREPARATION, ET COMPOSITIONS LES CONTENANT
  申请人：REDDY US THERAPEUTICS INC

  公开号：WO2006034473A3

  公开（公告）日：2006-12-14