特布他林杂质27 | 147942-88-9

• 分子结构分类: 有机化合物 - 有机氧化合物
• 中文名称: 特布他林杂质27
• 英文名称: 3,4-Dibenzyloxyacetophenon
• 英文别名: 1-[2',3'-bis(phenylmethoxy)phenyl]ethanone；1-(2,3-Diphenylmethoxyphenyl)ethanone；1-[2,3-bis(phenylmethoxy)phenyl]ethanone
• CAS: 147942-88-9
• 化学式: C₂₂H₂₀O₃
• 分子量: 332.399
• InChiKey: GVYKCALVGQRGHL-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.5
• 重原子数：
  25
• 可旋转键数：
  7
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.14
• 拓扑面积：
  35.5
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  特布他林杂质27 以82%的产率得到Methyl-β-oxo-2',3'-bis(phenylmethoxy) benzenepropanate
  参考文献：
  名称：

  Benzopyran derivatives and an anti-allergic agent possessing the same as

  摘要：

  本发明涉及一种具有低毒性的极其有效的抗过敏剂，其活性成分为下面通用公式描述的苯并吡喁衍生物（在公式中，R.sup.1 和 R.sup.2 分别是氢原子、酰基、具有1至12个碳原子的烷基基团，或具有2至10个碳原子的烯基基团；而 R.sup.3 是羟基、酰氧基、具有1至10个碳原子的烷氧基，或具有2至10个碳原子的烯氧基）。通用公式：##STR1##

  公开号：

  US05428059A1
• 作为产物：
  描述：

  2,3-二羟基苯乙酮 、 溴甲苯 在 potassium carbonate 作用下， 以 二甲基亚砜 为溶剂， 生成 特布他林杂质27
  参考文献：
  名称：

  Design, synthesis and SAR study of hydroxychalcone inhibitors of human β-secretase (BACE1)

  摘要：

  According to the structural characteristics of isoliquiritigenin from Glycyrrhiza uralensis, a series of hydroxychalcones has been designed, synthesized and evaluated for their in vitro inhibitory activities of beta-secretase (BACE1). Structure-activity relationship study suggested that inhibitory activity against BACE1 was governed to a greater extent by the hydroxyl substituent on A- and B-ring of the chalcone, and the most active compound was substituted with four hydroxyl group (17, IC(50) = 0.27 mu M).

  DOI：

  10.3109/14756366.2010.543420

文献信息

• BENZOPYRAN DERIVATIVE AND ANTIALLERGIC AGENT CONTAINING THE SAME AS ACTIVE INGREDIENT
  申请人：DAINIPPON INK AND CHEMICALS, INC.

  公开号：EP0598117A1

  公开（公告）日：1994-05-25

  An antiallergic agent with a low toxicity and an excellent efficacy, containing a benzopyran derivative represented by general formula (I) as the active ingredient, wherein R¹ and R² represent each hydrogen, acyl, C₁ to C₁₂ alkyl or C₂ to C₁₀ alkenyl; and R³ represents hydroxy, acyloxy, C₁ to C₁₀ alkoxy or C₂ to C₁₀ alkenyloxy.

  一种低毒、高效的抗过敏剂，含有通式(I)代表的苯并吡喃衍生物作为活性成分，其中R¹和R²分别代表氢、酰基、C₁至C₁₂烷基或C₂至C₁₀烯基；和 R³ 代表羟基、酰氧基、C₁至 C₁₀ 烷氧基或 C₂ 至 C₁₀ 烯氧基。
• US5428059A
  申请人：——

  公开号：US5428059A

  公开（公告）日：1995-06-27
• Design, synthesis and SAR study of hydroxychalcone inhibitors of human β-secretase (BACE1)
  作者：Lei Ma、Zhengyi Yang、Chenjing Li、Zhiyuan Zhu、Xu Shen、Lihong Hu

  DOI：10.3109/14756366.2010.543420

  日期：2011.10.1

  According to the structural characteristics of isoliquiritigenin from Glycyrrhiza uralensis, a series of hydroxychalcones has been designed, synthesized and evaluated for their in vitro inhibitory activities of beta-secretase (BACE1). Structure-activity relationship study suggested that inhibitory activity against BACE1 was governed to a greater extent by the hydroxyl substituent on A- and B-ring of the chalcone, and the most active compound was substituted with four hydroxyl group (17, IC(50) = 0.27 mu M).
• Benzopyran derivatives and an anti-allergic agent possessing the same as
  申请人：Dainippon Ink & Chemicals, Inc.

  公开号：US05428059A1

  公开（公告）日：1995-06-27

  The present invention relates to an extremely effective anti-allergic agent with a low toxicity, which possesses as its active ingredient a benzopyran derivative described by the general formula below (in the formula, R.sup.1 and R.sup.2 are each respectively a hydrogen atom, an acyl group, an alkyl group having 1.about.12 carbon atoms, or an alkenyl group having 2.about.10 carbon atoms; and R.sup.3 is a hydroxyl group, an acyloxy group, an alkoxy group having 1.about.10 carbon atoms, or an alkenyloxy group having 2.about.10 carbon atoms). General Formula ##STR1##

  本发明涉及一种具有低毒性的极其有效的抗过敏剂，其活性成分为下面通用公式描述的苯并吡喁衍生物（在公式中，R.sup.1 和 R.sup.2 分别是氢原子、酰基、具有1至12个碳原子的烷基基团，或具有2至10个碳原子的烯基基团；而 R.sup.3 是羟基、酰氧基、具有1至10个碳原子的烷氧基，或具有2至10个碳原子的烯氧基）。通用公式：##STR1##