4-(3,4,5.6-Tetramethoxy-2-methylbenzyl)phenol | 464216-04-4

• 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-(3,4,5.6-Tetramethoxy-2-methylbenzyl)phenol
• 英文别名: 4-(3,4,5,6-Tetramethoxy-2-methylbenzyl)phenol；4-[(2,3,4,5-tetramethoxy-6-methylphenyl)methyl]phenol
• CAS: 464216-04-4
• 化学式: C₁₈H₂₂O₅
• 分子量: 318.37
• InChiKey: CBWUZQIFBJZNKP-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.7
• 重原子数：
  23
• 可旋转键数：
  6
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.33
• 拓扑面积：
  57.2
• 氢给体数：
  1
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  4-(3,4,5.6-Tetramethoxy-2-methylbenzyl)phenol 在 乌洛托品 作用下， 以 水 、 三氟乙酸 为溶剂， 生成 5-(3,4,5,6-Tetramethoxy-2-methylbenzyl)-2-hydroxybenzaldehyde
  参考文献：
  名称：

  EP1314712

  摘要：

  公开号：
• 作为产物：
  描述：

  2,3,4,5-四甲氧基甲苯 在 palladium on activated charcoal 盐酸 、 氢气 作用下， 以 四氢呋喃 为溶剂， 生成 4-(3,4,5.6-Tetramethoxy-2-methylbenzyl)phenol
  参考文献：
  名称：

  2,3-Dimethoxy-5-methyl-1,4-benzoquinones and 2-methyl-1,4-naphthoquinones: glycation inhibitors with lipid peroxidation activity

  摘要：

  Anti-glycation activity of our anti-oxidant quinone library was measured and several 2,3-dimetlioxy-5-methyl-1,4-benzoquinones and 2-methyl-1,4-naphthoquinones were identified as novel inhibitors of glycation, of which 2,3-dimethoxy-5-methyl-1,4-benzoquinones 13b is the most potent glycation inhibitor with around 50 muM of the IC50 value. (C) 2004 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2004.12.029

文献信息

• Substituted benzoic acid derivatives exhibiting nf-k b inhibiting activity
  申请人：——

  公开号：US20040039061A1

  公开（公告）日：2004-02-26

  A substituted benzoic acid derivative which is represented by the following formula (I) and has an NF-&kgr;B inhibiting action (in the formula, R 3 , R 4 and R 5 each independently represents a hydrogen atom, an alkyl group having 1 to 6 carbon(s) or an alkoxy group having 1 to 6 carbon(s); R 9 and R 10 each independently represents a hydrogen atom, an alkyl group having 1 to 6 carbon(s) or an acyl group having 2 to 11 carbons); R 2 represents an optionally-substituted aromatic hydrocarbon group or an optionally-substituted heterocyclic group; and X represents a carboxyl group which may be esterified or amidated). 1

  一种被代表为以下化学式（I）的苯甲酸衍生物，具有NF-κB抑制作用（在该式中，R3、R4和R5分别独立表示氢原子、具有1至6个碳原子的烷基基团或具有1至6个碳原子的烷氧基团；R9和R10分别独立表示氢原子、具有1至6个碳原子的烷基基团或具有2至11个碳原子的酰基基团）；R2表示一个可选择取代的芳香烃基团或一个可选择取代的杂环基团；X表示一个可能酯化或酰胺化的羧基团。
• Nf-kappa b inhibitor containing substituted benzoic acid derivative as active ingredient
  申请人：——

  公开号：US20040122244A1

  公开（公告）日：2004-06-24

  A novel NF-&kgr;B inhibitor represented by the following formula (I) is provided. 1

  提供了一种以以下公式（I）表示的新型NF-κB抑制剂。1
• Substituted benzoic acid derivatives having NF-κB inhibiting action
  申请人：Daiichi Suntory Pharma Co., Ltd.

  公开号：US07122543B2

  公开（公告）日：2006-10-17

  A substituted benzoic acid derivative which is represented by the following formula (I) and has an NF-κB inhibiting action (in the formula, R3, R4 and R5 each independently represents a hydrogen atom, an alkyl group having 1 to 6 carbon(s) or an alkoxy group having 1 to 6 carbon(s); R9 and R10 each independently represents a hydrogen atom, an alkyl group having 1 to 6 carbon(s) or an acyl group having 2 to 11 carbons); R2 represents an optionally-substituted aromatic hydrocarbon group or an optionally-substituted heterocyclic group; and X represents a carboxyl group which may be esterified or amidated)

  以下是化学式（I）所代表的一种取代苯甲酸衍生物，具有NF-κB抑制作用（在公式中，R3、R4和R5分别独立地代表氢原子、具有1至6个碳的烷基或具有1至6个碳的烷氧基；R9和R10分别独立地代表氢原子、具有1至6个碳的烷基或具有2至11个碳的酰基）；R2代表可选取代的芳香族碳氢化合物基团或可选取代的杂环基团；X代表羧基，可以酯化或酰胺化。
• NF-κB inhibitor containing substituted benzoic acid derivative as active ingredient
  申请人：Daiichi Suntory Pharma Co., Ltd.

  公开号：US07064124B2

  公开（公告）日：2006-06-20

  A NF-κB inhibitor represented by the following formula (I) is provided:  

  提供了一种由以下公式（I）表示的NF-κB抑制剂：
• NF-KAPPA-B INHIBITOR CONTAINING SUBSTITUTED BENZOIC ACID DERIVATIVE AS ACTIVE INGREDIENT
  申请人：Daiichi Suntory Pharma Co., Ltd.

  公开号：EP1314712A1

  公开（公告）日：2003-05-28

  A novel NF-κB inhibitor represented by the following formula (I) is provided.

  本研究提供了一种由下式 (I) 表示的新型 NF-κB 抑制剂。