N-[3-(5,6-dimethoxy-3-methyl-1,4-benzoquinon-2-ylmethyl)phenylacetyl]piperidine | 245086-91-3

• 分子结构分类: 有机化合物 - 脂质和类脂质分子 - 异戊烯醇脂质
• 英文名称: N-[3-(5,6-dimethoxy-3-methyl-1,4-benzoquinon-2-ylmethyl)phenylacetyl]piperidine
• 英文别名: 2,3-dimethoxy-5-methyl-6-[[3-(2-oxo-2-piperidin-1-ylethyl)phenyl]methyl]cyclohexa-2,5-diene-1,4-dione
• CAS: 245086-91-3
• 化学式: C₂₃H₂₇NO₅
• 分子量: 397.471
• InChiKey: JDSWQNWPHPVMFB-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.9
• 重原子数：
  29
• 可旋转键数：
  6
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.43
• 拓扑面积：
  72.9
• 氢给体数：
  0
• 氢受体数：
  5

反应信息

• 作为产物：
  描述：

  3-(5,6-dimethoxy-3-methyl-1,4-benzoquinon-2-ylmethyl)phenylacetic acid 、 哌啶 以to obtain the title compound (35 mg, 0.088 mmol, yield 33%)的产率得到N-[3-(5,6-dimethoxy-3-methyl-1,4-benzoquinon-2-ylmethyl)phenylacetyl]piperidine
  参考文献：
  名称：

  NF-κB inhibitor comprising phenylmethyl benzoquinone as the active ingredient

  摘要：

  一种NF-κB抑制剂，其活性成分为通式（1）所表示的苯醌衍生物，其中R1，R2和R3各自独立地为H，具有1至5个碳的烷基或具有1至5个碳的烷氧基；R4为H，羟甲基，烷基或羧基，可选择酯化或酰胺化；Z由公式（A）表示；n为0至6的整数，或其氢醌形式或其药学上可接受的盐。

  公开号：

  US06943196B1

文献信息

• Substituted n-phenyl-n-fused-benzyl aminoalcohol compounds useful for inhibiting cholesteryl ester transfer protein activity
  申请人：——

  公开号：US20020183397A1

  公开（公告）日：2002-12-05

  The invention relates to substituted polycyclic aryl and heteroaryl tertiary-heteroalkylamine compounds useful as inhibitors of cholesteryl ester transfer protein (CETP; plasma lipid transfer protein-I) and compounds, compositions and methods for treating atherosclerosis and other coronary artery diseases. Preferred tertiary-heteroalkylamine compounds are substituted N-phenyl-N-fused-benzyl aminoalcohols. A preferred specific N-phenyl-N-fused-benzyl aminoalcohol is the compound: 1

  本发明涉及取代的多环芳基和杂环芳基三级-杂代烷基胺化合物，可用作胆固醇酯转移蛋白（CETP;血浆脂质转移蛋白-I）抑制剂，以及用于治疗动脉粥样硬化和其他冠状动脉疾病的化合物、组合物和方法。优选的三级-杂代烷基胺化合物是取代的N-苯基-N-融合苄基氨基醇。一种优选的特定N-苯基-N-融合苄基氨基醇化合物是化合物：1。
• Substituted polycyclic aryl and heteroaryl tertiary-heteroalkylamines useful for inhibiting cholesteryl ester transfer protein activity
  申请人：G.D. Searle & Co.

  公开号：US20030087905A1

  公开（公告）日：2003-05-08

  The invention relates to substituted polycyclic aryl and heteroaryl tertiary-heteroalkylamine compounds useful as inhibitors of cholesteryl ester transfer protein (CETP; plasma lipid transfer protein-I) and compounds, compositions and methods for treating atherosclerosis and other coronary artery diseases.

  本发明涉及替代多环芳基和杂环芳基三级杂-杂烷胺化合物，其可用作胆固醇酯转移蛋白（CETP；血浆脂质转运蛋白-I）的抑制剂，以及用于治疗动脉粥样硬化和其他冠状动脉疾病的化合物、组合物和方法。
• NF-kappaB inhibitor comprising phenylmethyl benzoquinone as an active ingredient
  申请人：——

  公开号：US20040030129A1

  公开（公告）日：2004-02-12

  An NF-&kgr;B inhibitor having as an active ingredient a benzoquinone derivative represented by the general formula (1) wherein R 1 , R 2 , and R 3 are each independently H, alkyl having 1 to 5 carbons, or alkoxy having 1 to 5 carbons; R 4 is H, hydroxymethyl, alkyl, or carboxyl which is optionally esterified or amidated; Z is represented by the formula (A); and, n is an integer from 0 to 6, or its hydroquinone form or a pharmaceutically acceptable salt thereof. 1

  一种NF-&kgr;B抑制剂，其活性成分为通式（1）所表示的苯醌衍生物，其中R1、R2和R3各自独立地为H、具有1至5个碳的烷基或具有1至5个碳的烷氧基；R4为H、羟甲基、烷基或羧基，可选择酯化或酰胺化；Z由公式（A）表示；n为0至6的整数，或其对应的氢醌形式或其药学上可接受的盐。
• NF-$g(k)B INHIBITORS CONTAINING AS THE ACTIVE INGREDIENT PHENYLMETHYL BENZOQUINONE
  申请人：SUNTORY LIMITED

  公开号：EP1008346A1

  公开（公告）日：2000-06-14

  NF-kB inhibitors containing as the active ingredient benzoquinone derivatives represented by general formula (I), hydroquinone compounds thereof or salts of the same, wherein R1, R2 and R3 independently represent each H, C1-5 alkyl or C1-5 alkoxy; R4 represents H, hydroxy-methyl, alkyl or optionally esterified or amidated carboxy; Z is represented by formula (A); and n is from 0 to 6.

  含有通式（I）代表的苯醌衍生物、其氢醌化合物或其盐作为活性成分的 NF-kB 抑制剂，其中 R1、R2 和 R3 各自独立地代表 H、C1-5 烷基或 C1-5 烷氧基；R4 代表 H、羟甲基、烷基或任选酯化或酰胺化的羧基；Z 由式（A）代表；n 为 0 至 6。
• PREVENTIVES OR REMEDIES FOR MYOCARDITIS, DILATED CARDIOMYOPATHY AND CARDIAC INSUFFICIENCY CONTAINING NF-KAPPA B INHIBITORS AS THE ACTIVE INGREDIENT
  申请人：SUNTORY LIMITED

  公开号：EP1132093A1

  公开（公告）日：2001-09-12

  The present invention provides a preventive or therapeutic agents for myocarditis, dilated cardiomyopathy and heart failure comprising NF-κB inhibitors as active ingredients.

  本发明提供了一种预防或治疗心肌炎、扩张型心肌病和心力衰竭的制剂，其活性成分包括 NF-κB 抑制剂。