[7-Methoxy-2-(3,4,5-trimethoxy-phenyl)-2H-chromen-3-yl]-methanol | 364039-53-2

• 分子结构分类: 有机化合物 - 苯丙烷和聚酮 - 黄酮类化合物
• 英文名称: [7-Methoxy-2-(3,4,5-trimethoxy-phenyl)-2H-chromen-3-yl]-methanol
• 英文别名: [7-methoxy-2-(3,4,5-trimethoxyphenyl)-2H-chromen-3-yl]methanol
• CAS: 364039-53-2
• 化学式: C₂₀H₂₂O₆
• 分子量: 358.391
• InChiKey: SPFZJDHKVIXCHT-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.5
• 重原子数：
  26
• 可旋转键数：
  6
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.3
• 拓扑面积：
  66.4
• 氢给体数：
  1
• 氢受体数：
  6

反应信息

• 作为反应物：
  描述：

  溴乙烷 、 [7-Methoxy-2-(3,4,5-trimethoxy-phenyl)-2H-chromen-3-yl]-methanol 在 sodium hydride 作用下， 以 四氢呋喃 为溶剂， 生成 3-Ethoxymethyl-7-methoxy-2-(3,4,5-trimethoxy-phenyl)-2H-chromene
  参考文献：
  名称：

  Novel chromene derivatives as TNF-α inhibitors

  摘要：

  A novel series of chromene-based TNF-alpha inhibitors is described. These chromene derivatives inhibit bacterial lipopolysaccharide (LPS) stimulated production of TNF-alpha from human peripheral blood mononuclear cells (PBMC). Additionally, these compounds inhibit NF-kB mediated transcription activation. (C) 2003 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2003.08.025
• 作为产物：
  描述：

  7-methoxy-2-(3,4,5-trimethoxy-phenyl)-2H-chromene-3-carboxylic acid ethyl ester 在 lithium aluminium tetrahydride 作用下， 以 乙醚 为溶剂， 生成 [7-Methoxy-2-(3,4,5-trimethoxy-phenyl)-2H-chromen-3-yl]-methanol
  参考文献：
  名称：

  Novel chromene derivatives as TNF-α inhibitors

  摘要：

  A novel series of chromene-based TNF-alpha inhibitors is described. These chromene derivatives inhibit bacterial lipopolysaccharide (LPS) stimulated production of TNF-alpha from human peripheral blood mononuclear cells (PBMC). Additionally, these compounds inhibit NF-kB mediated transcription activation. (C) 2003 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2003.08.025

文献信息

• [EN] BENZOPYRANES USEFUL AS TNF ALPHA INHIBITORS<br/>[FR] BENZOPYRANES UTILES COMME INHIBITEURS DE TNF-ALPHA
  申请人：CHUGAI PHARMACEUTICAL CO LTD

  公开号：WO2001072735A2

  公开（公告）日：2001-10-04

  This invention relates to novel compounds of formula (I) capable of inhibiting TNF alpha and having antiinflammatory properties useful in a pharmaceutical composition, such as for a drug containing this as an active ingredient; and a therapeutic method with the use of these novel compounds.
• Novel chromene derivatives as TNF-α inhibitors
  作者：Jie-Fei Cheng、Akira Ishikawa、Yoshinori Ono、Thomas Arrhenius、Alex Nadzan

  DOI：10.1016/j.bmcl.2003.08.025

  日期：2003.11

  A novel series of chromene-based TNF-alpha inhibitors is described. These chromene derivatives inhibit bacterial lipopolysaccharide (LPS) stimulated production of TNF-alpha from human peripheral blood mononuclear cells (PBMC). Additionally, these compounds inhibit NF-kB mediated transcription activation. (C) 2003 Elsevier Ltd. All rights reserved.