Acetic acid 4-benzyloxy-3-fluoro-phenyl ester | 177782-02-4

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯酚酯
• 英文名称: Acetic acid 4-benzyloxy-3-fluoro-phenyl ester
• 英文别名: (3-Fluoro-4-phenylmethoxyphenyl) acetate
• CAS: 177782-02-4
• 化学式: C₁₅H₁₃FO₃
• 分子量: 260.265
• InChiKey: YBXVXWFHSXNXSC-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.2
• 重原子数：
  19
• 可旋转键数：
  5
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.13
• 拓扑面积：
  35.5
• 氢给体数：
  0
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  Acetic acid 4-benzyloxy-3-fluoro-phenyl ester 在 sodium methylate 作用下， 以 甲醇 为溶剂， 反应 1.0h， 生成 4-(苄氧基)-3-氟苯酚
  参考文献：
  名称：

  .beta.1-Selective adrenoceptor antagonists. 2. 4-Ether-linked phenoxypropanolamines

  摘要：

  A series of 4-substituted phenoxypropanolamines was prepared and examined for beta-adrenoceptor activity. Some of the compounds, especially the [4-[2-[[2-(4-fluorophenyl)ethyl] oxy]ethoxy]phenoxy]propanolamines (14, 15, and 24), showed potent beta 1-blockade with virtually no beta 2-blockade at doses over a 1000 times greater. The compounds also possessed partial agonist activity. Structure-activity relationships are discussed, and conclusions are drawn about the binding sites on beta-adrenoceptors.

  DOI：

  10.1021/jm00365a005
• 作为产物：
  描述：

  1-[4-(苄氧基)-3-氟苯基]-1-乙酮 在 间氯过氧苯甲酸 作用下， 以 二氯甲烷 为溶剂， 反应 120.0h， 生成 Acetic acid 4-benzyloxy-3-fluoro-phenyl ester
  参考文献：
  名称：

  .beta.1-Selective adrenoceptor antagonists. 2. 4-Ether-linked phenoxypropanolamines

  摘要：

  A series of 4-substituted phenoxypropanolamines was prepared and examined for beta-adrenoceptor activity. Some of the compounds, especially the [4-[2-[[2-(4-fluorophenyl)ethyl] oxy]ethoxy]phenoxy]propanolamines (14, 15, and 24), showed potent beta 1-blockade with virtually no beta 2-blockade at doses over a 1000 times greater. The compounds also possessed partial agonist activity. Structure-activity relationships are discussed, and conclusions are drawn about the binding sites on beta-adrenoceptors.

  DOI：

  10.1021/jm00365a005

文献信息

• COMPOUNDS AND METHODS FOR TRANS-MEMBRANE DELIVERY OF MOLECULES
  申请人：Aposense Ltd.

  公开号：US20170037401A1

  公开（公告）日：2017-02-09

  A novel delivery system for drugs, and especially macromolecules such as proteins or oligonucleotides through biological membranes is provided, and specifically delivery of siRNA. The delivery system comprises conjugation of the macromolecule drug to a moiety that enables effective passage through the membranes. Respectively, novel compounds and pharmaceutical compositions are provided, utilizing said delivery system. In one aspect of the invention, the compounds may be utilized in medical practice, for example, in delivery of siRNA or antisense oligonucleotides across biological membranes for the treatment of medical disorders.