N-[3-[4-(3,5,6-trimethyl-1,4-benzoquinon-2-ylmethyl)phenyl]propionyl]piperidine | 245086-73-1

• 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: N-[3-[4-(3,5,6-trimethyl-1,4-benzoquinon-2-ylmethyl)phenyl]propionyl]piperidine
• 英文别名: 2,3,5-trimethyl-6-[[4-(3-oxo-3-piperidin-1-ylpropyl)phenyl]methyl]cyclohexa-2,5-diene-1,4-dione
• CAS: 245086-73-1
• 化学式: C₂₄H₂₉NO₃
• 分子量: 379.499
• InChiKey: RUDVOVVPKVOWRA-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.6
• 重原子数：
  28
• 可旋转键数：
  5
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.46
• 拓扑面积：
  54.4
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为产物：
  描述：

  3-[4-(3,5,6-trimethyl-1,4-benzoquinon-2-ylmethyl)phenyl]propionic acid 、 哌啶 以to obtain the title compound (53 mg, 0.14 mmol, yield 59%)的产率得到N-[3-[4-(3,5,6-trimethyl-1,4-benzoquinon-2-ylmethyl)phenyl]propionyl]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

• 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。
• Methods of using phenylmethylbenzoquinone and hydroquinone compounds for treatment of myocarditis, dilated cardiomyopathy and heart failure
  申请人：Daiichi Suntory Pharma Co., Ltd.

  公开号：US06703421B1

  公开（公告）日：2004-03-09

  A method for prevention or treating myocarditis, dilated cardiomyopathy and heart failure comprising administering to a patient in need of such treatment a NF-&kgr;B inhibitor in a therapeutically effective amount, wherein said NF-&kgr;B inhibitor is a benzoquinone derivative represented by the following formula (I): wherein R1, R2 and R3 are each independently a hydrogen atom, an alkyl group having 1 to 5 carbons or an alkoxy group having 1 to 5 carbons; R4 is a hydrogen atom, a hydroxymethyl group, an alkyl group, or a carboxyl group which is optionally esterified or amidated; Z is and n is an integer from 0 to 6, or its hydroquinone form, or a pharmaceutically acceptable salt thereof, is provided.

  一种预防或治疗心肌炎、扩张型心肌病和心力衰竭的方法，包括向需要该治疗的患者施用一种NF-κB抑制剂，所述NF-κB抑制剂为以下式子(I)所表示的苯醌衍生物：其中，R1、R2和R3各自独立地为氢原子、具有1至5个碳的烷基或具有1至5个碳的烷氧基；R4为氢原子、羟甲基基团、烷基或羧基，该羧基可选地酯化或酰胺化；Z为，n为0至6的整数；或其羟醌形式，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。
• EP1132093
  申请人：——

  公开号：——

  公开（公告）日：——