4-(4-benzyloxyphenoxy)benzoyl chloride | 916067-74-8

• 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-(4-benzyloxyphenoxy)benzoyl chloride
• 英文别名: 4-[4-(Benzyloxy)phenoxy]benzoyl chloride；4-(4-phenylmethoxyphenoxy)benzoyl chloride
• CAS: 916067-74-8
• 化学式: C₂₀H₁₅ClO₃
• 分子量: 338.79
• InChiKey: COCYZYYYKQYWBA-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.8
• 重原子数：
  24
• 可旋转键数：
  6
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.05
• 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：

  4-(4-benzyloxyphenoxy)benzoyl chloride 在 氢气 作用下， 生成 4-(4-Hydroxy-phenoxy)-N-pyridin-3-yl-benzamide
  参考文献：
  名称：

  Potent, selective pyrimidinetrione-based inhibitors of MMP-13

  摘要：

  Using SAR from two related series of pyrimidinetrione-based inhibitors, compounds with potent MMP-13 inhibition and > 100-fold selectivity against other MMPs have been identified. Despite high molecular weights, c log Ps, and polar surface areas, the compounds are generally well absorbed and have excellent pharmacokinetic (PK) properties when dosed as sodium salts. In a rat fibrosis model, a compound from the series displayed no fibrosis at exposures many fold greater than its MMP-13 IC50. (c) 2006 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2006.08.066

文献信息

• Potent, selective pyrimidinetrione-based inhibitors of MMP-13
  作者：Lawrence A. Reiter、Kevin D. Freeman-Cook、Christopher S. Jones、Gary J. Martinelli、Amy S. Antipas、Martin A. Berliner、Kaushik Datta、James T. Downs、James D. Eskra、Michael D. Forman、Elaine M. Greer、Roberto Guzman、Joel R. Hardink、Fouad Janat、Nandell F. Keene、Ellen R. Laird、Jennifer L. Liras、Lori L. Lopresti-Morrow、Peter G. Mitchell、Jayvardhan Pandit、Donald Robertson、Diana Sperger、Marcie L. Vaughn-Bowser、Darra M. Waller、Sue A. Yocum

  DOI：10.1016/j.bmcl.2006.08.066

  日期：2006.11

  Using SAR from two related series of pyrimidinetrione-based inhibitors, compounds with potent MMP-13 inhibition and > 100-fold selectivity against other MMPs have been identified. Despite high molecular weights, c log Ps, and polar surface areas, the compounds are generally well absorbed and have excellent pharmacokinetic (PK) properties when dosed as sodium salts. In a rat fibrosis model, a compound from the series displayed no fibrosis at exposures many fold greater than its MMP-13 IC50. (c) 2006 Elsevier Ltd. All rights reserved.