4,6-bis(methoxymethoxy)-2-{2-[(2,2-dimethyl-1,3-dioxolan-4-yl)-methoxy]ethyl}-3-ethylphenyl 3,4-dimethoxyphenyl ketone | 819812-88-9

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: 4,6-bis(methoxymethoxy)-2-{2-[(2,2-dimethyl-1,3-dioxolan-4-yl)-methoxy]ethyl}-3-ethylphenyl 3,4-dimethoxyphenyl ketone
• 英文别名: (3,4-Dimethoxyphenyl)-[2-[2-[(2,2-dimethyl-1,3-dioxolan-4-yl)methoxy]ethyl]-3-ethyl-4,6-bis(methoxymethoxy)phenyl]methanone
• CAS: 819812-88-9
• 化学式: C₂₉H₄₀O₁₀
• 分子量: 548.631
• InChiKey: LRTXHOCZRQTVQG-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.2
• 重原子数：
  39
• 可旋转键数：
  16
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.55
• 拓扑面积：
  100
• 氢给体数：
  0
• 氢受体数：
  10

文献信息

• Hsp90 FAMILY PROTEIN INHIBITORS
  申请人：Nara Shinji

  公开号：US20090247522A1

  公开（公告）日：2009-10-01

  The present invention provides Hsp90 family protein inhibitors comprising, as an active ingredient, a benzoyl compound represented by general formula (I): (wherein n represents an integer of 0 to 10; R 1 represents substituted or unsubstituted lower alkoxy, substituted or unsubstituted lower alkoxycarbonyl, CONR 7 R 8 or the like; R 2 represents substituted or unsubstituted aryl, a substituted or unsubstituted aromatic heterocyclic group or the like; R 3 and R 5 , which may be the same or different, each represent a hydrogen atom, substituted or unsubstituted lower alkyl, substituted or unsubstituted lower alkenyl or the like; and R 4 and R 6 , which may be the same or different, each represent a hydrogen atom, halogen, substituted or unsubstituted lower alkyl, substituted or unsubstituted aryl or the like) or a prodrug thereof, or a pharmaceutically acceptable salt of said benzoyl compound or said prodrug.

  本发明提供了Hsp90家族蛋白抑制剂，其包含作为活性成分的苯甲酰化合物，其通式表示为（I）：（其中n表示0到10的整数；R1表示取代或未取代的低烷氧基，取代或未取代的低烷氧羰基，CONR7R8或类似物；R2表示取代或未取代的芳基，取代或未取代的芳香杂环基或类似物；R3和R5，可以相同也可以不同，分别表示氢原子，取代或未取代的低烷基，取代或未取代的低烯基或类似物；R4和R6，可以相同也可以不同，分别表示氢原子，卤素，取代或未取代的低烷基，取代或未取代的芳基或类似物）或其前药，或其药学上可接受的盐。
• Hsp90 family protein inhibitors
  申请人：Nara Shinji

  公开号：US20070032532A1

  公开（公告）日：2007-02-08

  The present invention provides Hsp90 family protein inhibitors comprising, as an active ingredient, a benzoyl compound represented by general formula (I): (wherein n represents an integer of 0 to 10; R 1 represents substituted or unsubstituted lower alkoxy, substituted or unsubstituted lower alkoxycarbonyl, CONR 7 R 8 or the like; R 2 represents substituted or unsubstituted aryl, a substituted or unsubstituted aromatic heterocyclic group or the like; R 3 and R 5 , which may be the same or different, each represent a hydrogen atom, substituted or unsubstituted lower alkyl, substituted or unsubstituted lower alkenyl or the like; and R 4 and R 6 , which may be the same or different, each represent a hydrogen atom, halogen, substituted or unsubstituted lower alkyl, substituted or unsubstituted aryl or the like) or a prodrug thereof, or a pharmaceutically acceptable salt of said benzoyl compound or said prodrug.

  本发明提供了Hsp90家族蛋白抑制剂，其作为活性成分包括由通式（I）表示的苯甲酰化合物： （其中，n代表0至10的整数；R1代表取代或未取代的较低烷氧基、取代或未取代的较低烷氧羰基、CONR7R8等；R2代表取代或未取代的芳基、取代或未取代的芳香族杂环基等；R3和R5，可以相同也可以不同，每个代表氢原子、取代或未取代的较低烷基、取代或未取代的较低烯基等；R4和R6，可以相同也可以不同，每个代表氢原子、卤素、取代或未取代的较低烷基、取代或未取代的芳基等）或其前药，或所述苯甲酰化合物或其前药的药学上可接受的盐。
• HSP90 FAMILY PROTEIN INHIBITORS
  申请人：KYOWA HAKKO KOGYO CO., LTD.

  公开号：EP1642880A1

  公开（公告）日：2006-04-05

  The present invention provides Hsp90 family protein inhibitors comprising, as an active ingredient, a benzoyl compound represented by general formula (I): (wherein n represents an integer of 0 to 10; R1 represents substituted or unsubstituted lower alkoxy, substituted or unsubstituted lower alkoxycarbonyl, CONR7R8 or the like; R2 represents substituted or unsubstituted aryl, a substituted or unsubstituted aromatic heterocyclic group or the like; R3 and R5, which may be the same or different, each represent a hydrogen atom, substituted or unsubstituted lower alkyl, substituted or unsubstituted lower alkenyl or the like; and R4 and R6, which may be the same or different, each represent a hydrogen atom, halogen, substituted or unsubstituted lower alkyl, substituted or unsubstituted aryl or the like) or a prodrug thereof, or a pharmaceutically acceptable salt of said benzoyl compound or said prodrug.

  本发明提供了 Hsp90 家族蛋白抑制剂，其活性成分包括通式 (I) 所代表的苯甲酰化合物： (其中 n 代表 0 至 10 的整数；R1 代表取代或未取代的低级烷氧基、取代或未取代的低级烷氧羰基、CONR7R8 或类似物；R2 代表取代或未取代的芳基、取代或未取代的芳香杂环基团或类似物；R3和R5可以相同或不同，各自代表氢原子、取代或未取代的低级烷基、取代或未取代的低级烯基或类似物；R4和R6可以相同或不同，各自代表氢原子、卤素、取代或未取代的低级烷基、取代或未取代的芳基或类似物）或其原药，或所述苯甲酰化合物或所述原药的药学上可接受的盐。
• US7538224B2
  申请人：——

  公开号：US7538224B2

  公开（公告）日：2009-05-26
• US7767693B2
  申请人：——

  公开号：US7767693B2

  公开（公告）日：2010-08-03