(2R-trans)-5-(4-fluorophenyl)-2-(1-methylethyl)-N,4-diphenyl-1-[2-(tetrahydro-4-hydroxy-6-oxo-2H-pyran-2-yl)-ethyl]-1H-pyrrole-3-carboxamide

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吡咯
• 英文名称: (2R-trans)-5-(4-fluorophenyl)-2-(1-methylethyl)-N,4-diphenyl-1-[2-(tetrahydro-4-hydroxy-6-oxo-2H-pyran-2-yl)-ethyl]-1H-pyrrole-3-carboxamide
• 英文别名: atorvastatin lactone；5-(4-fluorophenyl)-1-[2-((2R,4R)-4-hydroxy-6-oxo-tetrahydro-pyran-2-yl)-ethyl]-2-isopropyl-4-phenyl-1H-pyrrole-3-carboxylic acid phenylamide；trans-5-(4-fluorophenyl)-2-(1-methylethyl)-N,4-diphenyl-1-[2-(tetrahydro-4-hydroxy-6-oxo2H-pyran-2-yl)ethyl]-pyrrole-3-carboxamide；(2R-trans)-5-(4-fluorophenyl)-2-(1-methylethyl)-N, 4-diphenyl-1-[2-(tetrahydro-4-hydroxy-6-oxo-2H-pyran-2-yl)ethyl]-1H-pyrrole-3-carboxamide；(2R-trans)-5-(4-Fluorophenyl)-2-(1-methylethyl)-N,4-diphenyl-1-[2-(tetrahydro-4-hydroxy-6-oxo-2H-pyran-2-yl)ethyl]-1H-pyrrole-3-carboxamide；trans-5-(4-fluorophenyl)-2-(1-methylethyl)-N,4-diphenyl-1-[2-(tetrahydro-4-hydroxy-6-oxo-2H-pyran-2-yl)ethyl]-pyrrole-3-carboxamide；5-(4-Fluorophenyl)-2-(1-methylethyl)-N,4-diphenyl-1-[2-[(2R,4R)-tetrahydro-4-hydroxy-6-oxo-2H-pyran-2-yl]ethyl]-1H-pyrrole-3-carboxamide；5-(4-fluorophenyl)-1-[2-(4-hydroxy-6-oxooxan-2-yl)ethyl]-N,4-diphenyl-2-propan-2-ylpyrrole-3-carboxamide
• 化学式: C₃₃H₃₃FN₂O₄
• 分子量: 540.634
• InChiKey: OUCSEDFVYPBLLF-UHFFFAOYSA-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

• 作为产物：
  描述：

  阿托伐他汀 在 sodium hypochlorite 、 octabromotetrakis(2,6-dichlorophenyl)porphyrin Fe(III)Cl 作用下， 以 水 、 乙腈 为溶剂， 反应 0.83h， 生成 (2R-trans)-5-(4-fluorophenyl)-2-(1-methylethyl)-N,4-diphenyl-1-[2-(tetrahydro-4-hydroxy-6-oxo-2H-pyran-2-yl)-ethyl]-1H-pyrrole-3-carboxamide
  参考文献：
  名称：

  [EN] EX VIVO METHODS FOR PREDICTING AND CONFIRMING IN VIVO METABOLISM OF PHARMACEUTICALLY ACTIVE COMPOUNDS
  [FR] MÉTHODES EX VIVO PERMETTANT DE PRÉDIRE ET DE CONFIRMER LE MÉTABOLISME IN VIVO DE COMPOSÉS PHARMACEUTIQUEMENT ACTIFS

  摘要：

  用于催化氧化药用活性化合物的方法和组合物，更具体地用于预测药用活性化合物体外代谢的方法，包括预测两种或更多药用活性化合物之间的体内相互作用。

  公开号：

  WO2015089089A1

文献信息

• COMPOSITIONS AND METHODS FOR PRODUCING STEREOISOMERICALLY PURE STATINS AND SYNTHETIC INTERMEDIATES THEREFOR
  申请人：Giver Lorraine Joan

  公开号：US20080248539A1

  公开（公告）日：2008-10-09

  The present disclosure provides ketoreductase enzymes having improved properties as compared to a naturally occurring wild-type ketoreductase enzyme. Also provided are polynucleotides encoding the engineered ketoreductase enzymes, host cells capable of expressing the engineered ketoreductase enzymes, method of using the engineered ketoreductase enzymes to synthesize a variety of chirally pure compounds, and the chirally pure compounds prepared therewith.

  本公开提供了具有改进性能的酮还原酶酶，与天然存在的野生型酮还原酶酶相比。还提供了编码经过改造的酮还原酶酶的多核苷酸，能够表达经过改造的酮还原酶酶的宿主细胞，使用经过改造的酮还原酶酶合成各种对映纯化合物的方法，以及用其制备的对映纯化合物。
• [EN] ANTIOXIDANT, NEUROPROTECTIVE AND ANTINEOPLASTIC NANOPARTICLES COMPRISING A THERAPEUTIC AGENT ON AN AMPHIPHILIC SPACER OR AN AMPHIPHILIC POLYMER<br/>[FR] NANOPARTICULES ANTIOXYDANTES, NEUROPROTECTRICES ET ANTINÉOPLASIQUES COMPRENANT UN AGENT THÉRAPEUTIQUE SUR UN ESPACEUR AMPHIPHILE OU UN POLYMÈRE AMPHIPHILE
  申请人：CEDARS SINAI MEDICAL CENTER

  公开号：WO2013016696A1

  公开（公告）日：2013-01-31

  This invention relates to antioxidant, neuroprotective and antineoplastic nanoparticles comprising a therapeutic agent on an amphiphilic spacer or an amphiphilic polymer. Methods of synthesizing the antioxidant derivatives of camptothecin and antioxidant derivatives of camptothecin analogs, NSAIDs and statins, spontaneous emulsification or nanoprecipitation thereof to produce antioxidant, neuroprotective and anti-neoplastic nanoparticles comprising a therapeutic agent on an amphiphilic spacer or an amphiphilic polymer and their use in treating cancerous diseases are also provided. A further aspect of this invention is the use of these neuroprotective and anti-neoplastic nanoparticles for the preparation of delivery devices of other pharmaceuticals and/or drugs.

  本发明涉及抗氧化剂、神经保护剂和抗肿瘤纳米粒子，其包括具有治疗剂的两性亲脂间隔物或两性亲脂聚合物。还提供了合成伯氨替芬的抗氧化剂衍生物和伯氨替芬类似物、NSAIDs和他汀类药物的抗氧化剂衍生物的方法，以及通过自发乳化或纳米沉淀制备这些抗氧化、神经保护和抗肿瘤纳米粒子，其包括具有治疗剂的两性亲脂间隔物或两性亲脂聚合物，并且它们在治疗癌症疾病中的应用。本发明的另一个方面是利用这些神经保护和抗肿瘤纳米粒子制备其他药物和/或药物的输送装置。
• Process for Preparing Chiral Compounds
  申请人：Bauer David W.

  公开号：US20110118476A1

  公开（公告）日：2011-05-19

  The present invention is directed to a 2-deoxyribose-5-phosphate aldolase (DERA) chemoenzymatic process for making chiral compounds.

  本发明涉及一种2-脱氧核糖-5-磷酸醛缩酶（DERA）化学酶法制备手性化合物的方法。
• Atorvastatin calcium propylene glycol solvates
  申请人：Murthy K.S. Keshava

  公开号：US20080177087A1

  公开（公告）日：2008-07-24

  Atorvastatin calcium propylene glycol solvates and processes to prepare these novel solvates which are particularly useful and suitable for pharmaceutical applications.

  阿托伐他汀钙丙二醇溶剂合物及制备这些新型溶剂合物的工艺，这些新型溶剂合物在制药应用中特别有用和适用。
• [EN] AN IMPROVED PROCESS FOR PREPARATION OF ATORVASTATIN OR PHARMACEUTICALLY ACCEPTABLE SALTS THEREOF<br/>[FR] PROCÉDÉ AMÉLIORÉ POUR LA PRÉPARATION D'ATORVASTATINE OU DE SELS PHARMACEUTIQUEMENT ACCEPTABLES DE CELLE-CI
  申请人：LAURUS LABS PRIVATE LTD

  公开号：WO2017060885A1

  公开（公告）日：2017-04-13

  The present invention provides an improved process for the preparation of Atorvastatin or pharmaceutically acceptable salts thereof in high yield and purity.

  本发明提供了一种改进的工艺，用于高产高纯度地制备阿托伐他汀或其药学上可接受的盐。