阿托伐他汀杂质95 | 791553-16-7

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吡咯
• 中文名称: 阿托伐他汀杂质95
• 英文名称: (3R,5S)-Atorvastatin
• 英文别名: (3R,5S)-7-[2-(4-fluorophenyl)-3-phenyl-4-(phenylcarbamoyl)-5-propan-2-ylpyrrol-1-yl]-3,5-dihydroxyheptanoic acid
• CAS: 791553-16-7；651770-09-1
• 化学式: C₃₃H₃₅FN₂O₅
• 分子量: 558.6
• InChiKey: XUKUURHRXDUEBC-RRPNLBNLSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5
• 重原子数：
  41
• 可旋转键数：
  12
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.27
• 拓扑面积：
  112
• 氢给体数：
  4
• 氢受体数：
  6

文献信息

• [EN] FUSED-RING PYRIMIDIN-4(3H)-ONE DERIVATIVES, PROCESSES FOR THE PREPARATION AND USES THEREOF<br/>[FR] DERIVES DE LA PYRIMIDIN-4(3H)-ONE A CYCLES FUSIONNES, SPN PROCEDE DE PREPARATION ET SES UTILISATIONS
  申请人：SANKYO CO

  公开号：WO2003106435A1

  公开（公告）日：2003-12-24

  AbstractNovel compounds of the following formula (I) and pharmacologically acceptable salt and esters thereof can modulate LXR function and as a result show excellent anti-arteriosclerotic and anti-inflammatory activity:wherein:A represents aryl or heteroaryl;R1, R2 and R3 are the same or different and each represents hydrogen, hydroxyl, nitro, cyano, amino, halogen, carboxy, carbamoyl, mercapto, alkyl, haloalkyl, alkylcarbonyloxy, alkoxy, alkylthio, alkylsulfinyl, alkylsulfonyl, alkylamino, dialkylamino, alkylcarbonylamino, N-(alkylcarbonyl)-N-(alkyl)amino, alkoxycarbonylamino, N-(alkoxycarbonyl)-N-(alkyl)amino, alkylsulfonylamino, N-(alkylsulfonyl)-N-(alkyl)amino, haloalkylsulfonylamino, N-(haloalkylsulfonyl)-N-(alkyl)amino, alkylcarbonyl, alkoxycarbonyl, alkylaminocarbonyl or dialkylaminocarbonyl group, or R1 and R2 together are alkylenedioxy;R4 and R5 are the same or different and each represents hydrogen, hydroxyl, amino, halogen, mercapto, alkyl, haloalkyl, alkoxy, alkoxycarbonyl or alkylthio;X represents hydrogen, hydroxyl, halogen, alkoxy or haloalkoxy; andY represents an optionally substituted alkyl, cycloalkyl, heterocyclyl, aryl, cycloalkylalkyl, heterocyclylalkyl or aralkyl group.

  新化合物具有以下式（I）的结构，其药学上可接受的盐和酯可以调节LXR功能，从而表现出优秀的抗动脉粥样硬化和抗炎活性：其中：A代表芳基或杂环芳基；R1、R2和R3相同或不同，每个代表氢、羟基、硝基、氰基、氨基、卤素、羧基、氨基甲酰基、巯基、烷基、卤代烷基、烷基羰氧基、烷氧基、烷硫基、烷磺基、烷基氨基、二烷基氨基、烷基羰基氨基、N-（烷基羰基）-N-（烷基）氨基、烷氧羰基氨基、N-（烷氧羰基）-N-（烷基）氨基、烷磺酰氨基、N-（烷磺酰基）-N-（烷基）氨基、卤代烷基磺酰氨基、N-（卤代烷基磺酰基）-N-（烷基）氨基、烷基羰基、烷氧羰基、烷基氨基羰基或二烷基氨基羰基，或R1和R2一起是亚烷二氧基；R4和R5相同或不同，每个代表氢、羟基、氨基、卤素、巯基、烷基、卤代烷基、烷氧基、烷氧羰基或烷硫基；X代表氢、羟基、卤素、烷氧基或卤代烷氧基；Y代表可选择取代的烷基、环烷基、杂环烷基、芳基、环烷基烷基、杂环烷基烷基或芳基烷基。
• Benzene Compound Having 2 or More Substituents
  申请人：Tamaki Kazuhiko

  公开号：US20080004301A1

  公开（公告）日：2008-01-03

  A superior LXR modulator is provided. A compound represented by the general formula (I): [wherein R 1 : —COR 9 (wherein R 9 : alkyl, optionally substituted alkoxy or optionally substituted amino); R 2 : H, OH, alkoxy, optionally substituted amino, etc.; R 3 : H, optionally substituted alkyl, cycloalkyl, optionally substituted alkoxy, optionally substituted amino, halogeno, etc.; R 4 and R 5 : H, optionally substituted alkyl, halogeno, etc.; R 6 and R 7 : H, alkyl; R 8 : —X 2 R 10 [wherein R 10 : —COR 11 (wherein R 11 : OH, optionally substituted alkoxy, optionally substituted amino, etc.), —SO 2 R 12 (wherein R 12 : optionally substituted alkyl, optionally substituted amino, etc.), tetrazol-5-yl, etc.; X 2 : single bond, optionally substituted alkylene, etc.]; X 1 : —NH—, —O—, —S—, etc.; Y 1 : optionally substituted phenyl, optionally substituted 5- to 6-membered aromatic heterocyclyl; Y 2 : optionally substituted aryl, optionally substituted heterocyclyl, etc.] and the like is provided.

  提供了一种优越的LXR调节剂。化合物的一般式(I)如下：[其中R1：-COR9（其中R9：烷基，可选地取代的烷氧基或可选地取代的氨基）；R2：H，OH，烷氧基，可选地取代的氨基等；R3：H，可选地取代的烷基，环烷基，可选地取代的烷氧基，可选地取代的氨基，卤素等；R4和R5：H，可选地取代的烷基，卤素等；R6和R7：H，烷基；R8：-X2R10 [其中R10：-COR11（其中R11：OH，可选地取代的烷氧基，可选地取代的氨基等），-SO2R12（其中R12：可选地取代的烷基，可选地取代的氨基等），四唑-5-基等；X2：单键，可选地取代的烷基等]；X1：-NH-，-O-，-S-等；Y1：可选地取代的苯基，可选地取代的5-至6-成员芳香杂环基；Y2：可选地取代的芳基，可选地取代的杂环基等]。
• ATORVASTATIN COMPOSITIONS
  申请人：Alagumurugan Alagarsamy

  公开号：US20110064816A1

  公开（公告）日：2011-03-17

  Compositions containing atorvastatin, including its pharmaceutically acceptable salts, solvates, hydrates, enantiomers, polymorphs and their mixtures, and processes for preparing the same. Further aspects relate to pharmaceutical formulations comprising compositions containing atorvastatin, or a salt thereof, processes for preparing the same, and their methods of use, treatment and administration.

  本发明涉及含阿托伐他汀的组合物，包括其药学上可接受的盐、溶剂化物、水合物、对映体、多晶形及其混合物，以及制备它们的过程。进一步涉及含有阿托伐他汀或其盐的组合物的制药配方，以及制备它们的过程，以及它们的使用、治疗和管理方法。
• ADIPONECTIN PRODUCTION ENHANCER
  申请人：Sankyo Company, Limited

  公开号：EP1621210A1

  公开（公告）日：2006-02-01

  The present invention provides a pharmaceutical composition for enhancement of adiponectin production, treatment or prevention of hypoadiponectinemia, and the like, comprising as an active ingredient an HMG-CoA reductase inhibitor.

  本发明提供了一种药物组合物，用于增强脂肪生成素的产生、治疗或预防低脂酮血症等，其活性成分包括一种 HMG-CoA 还原酶抑制剂。
• SUGAR INTAKE-ABILITY ENHANCER
  申请人：Sankyo Company, Limited

  公开号：EP1618893A1

  公开（公告）日：2006-01-25

  The present invention provides a pharmaceutical composition for enhancement of glucose uptake into warm-blooded animal cells, treatment of diabetes, treatment or prevention of diabetes complications etc., treatment or prevention of diabetes or diabetes complications caused by insulin resistance syndrome, and the like, comprising as an active ingredient an HMG-CoA reductase inhibitor.

  本发明提供了一种药物组合物，用于增强温血动物细胞对葡萄糖的摄取、治疗糖尿病、治疗或预防糖尿病并发症等、治疗或预防由胰岛素抵抗综合征引起的糖尿病或糖尿病并发症等，其活性成分包括一种HMG-CoA还原酶抑制剂。