(R)-3-amino-4-(4-benzyl-3-methylpiperazin-1-yl)benzoic acid methyl ester | 1254043-89-4

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 哌啶类
• 英文名称: (R)-3-amino-4-(4-benzyl-3-methylpiperazin-1-yl)benzoic acid methyl ester
• 英文别名: methyl 3-amino-4-[(3R)-4-benzyl-3-methylpiperazin-1-yl]benzoate
• CAS: 1254043-89-4
• 化学式: C₂₀H₂₅N₃O₂
• 分子量: 339.437
• InChiKey: NARFVUHXNWKERZ-OAHLLOKOSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3
• 重原子数：
  25
• 可旋转键数：
  5
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.35
• 拓扑面积：
  58.8
• 氢给体数：
  1
• 氢受体数：
  5

文献信息

• CARBINOL DERIVATIVES HAVING HETEROCYCLIC LINKER
  申请人：Koura Minoru

  公开号：US20100280013A1

  公开（公告）日：2010-11-04

  [Object] It is to provide a novel LXRβ agonist useful as a preventative and/or therapeutic agent for atherosclerosis; arteriosclerosis such as those resulting from diabetes; dyslipidemia; hypercholesterolemia; lipid-related diseases; inflammatory diseases that are caused by inflammatory cytokines; skin diseases such as allergic skin diseases; diabetes; or Alzheimer's disease. [Solving Means] A carbinol compound represented by the following general formula (I) or salt thereof, or their solvate: (wherein, each V and W independently show N or C—R 7 ; each X and Y independently show CH 2 , C═O, SO 2 , etc; Z shows CH or N; each R 1 , R 2 and R 7 independently show a hydrogen atom, C 1-8 alkyl group, etc.; R 3 shows C 1-8 alkyl group; R 4 shows an optionally substituted C 6-10 aryl group or an optionally substituted 5- to 11-membered heterocyclic group; R 5 and R 6 show a hydrogen atom, etc.; L shows a C 1-8 alkyl chain optionally substituted with an oxo group, etc.; and n shows any integer of 0 to 2.)

  它是提供一种新型的LXRβ激动剂，可用作预防和/或治疗动脉粥样硬化；动脉硬化，如由糖尿病引起的动脉硬化；血脂异常；高胆固醇血症；与脂质相关的疾病；由炎性细胞因子引起的炎症性疾病；过敏性皮肤病；糖尿病；或阿尔茨海默病的预防和/或治疗剂。【解决手段】由以下一般式（I）表示的羟甲基化合物或其盐，或它们的溶剂化合物： （其中，每个V和W独立地表示N或C—R 7 ；每个X和Y独立地表示CH 2 ，C═O，SO 2 等；Z表示CH或N；每个R 1 ，R 2 和R 7 独立地表示氢原子，C 1-8 烷基基团等；R 3 表示C 1-8 烷基基团；R 4 表示可选择地取代的C 6-10 芳基基团或可选择地取代的5-至11-成员杂环基团；R 5 和R 6 表示氢原子等；L表示可选择地取代有氧基团等的C 1-8 烷基链；n表示0至2的任意整数。】
• CARBINOL COMPOUND HAVING HETEROCYCLIC LINKER
  申请人：Kowa Company, Ltd.

  公开号：EP2426113A1

  公开（公告）日：2012-03-07

  It is to provide a novel LXRβ agonist useful as a preventative and/or therapeutic agent for atherosclerosis; arteriosclerosis such as those resulting from diabetes; dyslipidemia; hypercholesterolemia; lipid-related diseases; inflammatory diseases that are caused by inflammatory cytokines; skin diseases such as allergic skin diseases; diabetes; or Alzheimer's disease. It is a carbinol compound represented by the following general formula (I) or salt thereof, or their solvate: (wherein, each V and W independently show N or C-R7; each X and Y independently show CH2, C=O, SO2, etc.; Z shows CH or N; each R1, R2 and R7 independently show a hydrogen atom, C1-8 alkyl group, etc.; R3 shows C1-8 alkyl group; R4 shows an optionally substituted C6-10 aryl group or an optionally substituted 5- to 11-membered heterocyclic group; R5 and R6 show a hydrogen atom, etc.; L shows a C1-8 alkyl chain optionally substituted with an oxo group, etc.; and n shows any integer of 0 to 2.)

  提供一种新型 LXRβ 激动剂，可作为动脉粥样硬化、动脉硬化（如糖尿病引起的动脉硬化）、血脂异常、高胆固醇血症、血脂相关疾病、由炎症细胞因子引起的炎症性疾病、皮肤病（如过敏性皮肤病）、糖尿病或阿尔茨海默病的预防和/或治疗药物。它是由以下通式(I)或其盐或它们的溶解物所代表的醇化合物： (其中，V 和 W 各自独立地表示 N 或 C-R7；X 和 Y 各自独立地表示 CH2、C=O、SO2 等；Z 表示 CH 或 N；R1、R2 和 R7 各自独立地表示氢原子、C1-8 烷基等。R3 表示 C1-8 烷基；R4 表示任选取代的 C6-10 芳基或任选取代的 5 至 11 元杂环基团；R5 和 R6 表示氢原子等；L 表示任选被氧代基团取代的 C1-8 烷基链等；n 表示 0 至 2 的任意整数）。
• US8551985B2
  申请人：——

  公开号：US8551985B2

  公开（公告）日：2013-10-08