diphenylmethyl 8-bromooctanoate | 106627-45-6

• 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: diphenylmethyl 8-bromooctanoate
• 英文别名: Benzhydryl 8-bromooctanoate
• CAS: 106627-45-6
• 化学式: C₂₁H₂₅BrO₂
• 分子量: 389.332
• InChiKey: ACVWAXDVJBIDNX-UHFFFAOYSA-N

物化性质

• 沸点：
  453.7±33.0 °C(Predicted)
• 密度：
  1.223±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  6.2
• 重原子数：
  24
• 可旋转键数：
  11
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.38
• 拓扑面积：
  26.3
• 氢给体数：
  0
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  diphenylmethyl 8-bromooctanoate 在 三乙基硅烷 、 甲酸 、 potassium carbonate 、 potassium iodide 作用下， 以 丙酮 为溶剂， 反应 66.0h， 生成 8-(4-acetyl-3-hydroxy-2-propylphenoxy)octanoic acid
  参考文献：
  名称：

  Leukotriene receptor antagonists. 1. Synthesis and structure-activity relationships of alkoxyacetophenone derivatives

  摘要：

  A series of derivatives of 2,4-dihydroxy-3-propylacetophenone(1) were prepared and examined for their ability to block leukotriene D4 (LTD4) induced contraction of guinea pig ileum. Straight-chain carboxylic acids where the carboxyl group was separated from the acetophenone moiety by varying numbers of methylenes were evaluated, and maximum activity was obtained with the pentamethylene acid (6). Examination of ring substitution showed that the 2-propyl-3-hydroxy-4-acetyl substitution pattern was required for maximum LTD4 antagonist activity. Additional chain terminal groups were examined, and the acidic 5-tetrazolyl group separated from the acetophenone moiety by four to seven methylenes (26, 23, 27, 28) gave excellent in vitro and in vivo activities. Compound 26 (LY171883) had the best balance of in vitro and in vivo activity. It lacked bronchospastic activity at the doses administered and has been chosen for clinical evaluation.

  DOI：

  10.1021/jm00387a018
• 作为产物：
  描述：

  8-溴辛酸 、 二苯基重氮甲烷 在 三氟化硼乙醚 作用下， 以 二氯甲烷 为溶剂， 生成 diphenylmethyl 8-bromooctanoate
  参考文献：
  名称：

  Leukotriene receptor antagonists. 1. Synthesis and structure-activity relationships of alkoxyacetophenone derivatives

  摘要：

  A series of derivatives of 2,4-dihydroxy-3-propylacetophenone(1) were prepared and examined for their ability to block leukotriene D4 (LTD4) induced contraction of guinea pig ileum. Straight-chain carboxylic acids where the carboxyl group was separated from the acetophenone moiety by varying numbers of methylenes were evaluated, and maximum activity was obtained with the pentamethylene acid (6). Examination of ring substitution showed that the 2-propyl-3-hydroxy-4-acetyl substitution pattern was required for maximum LTD4 antagonist activity. Additional chain terminal groups were examined, and the acidic 5-tetrazolyl group separated from the acetophenone moiety by four to seven methylenes (26, 23, 27, 28) gave excellent in vitro and in vivo activities. Compound 26 (LY171883) had the best balance of in vitro and in vivo activity. It lacked bronchospastic activity at the doses administered and has been chosen for clinical evaluation.

  DOI：

  10.1021/jm00387a018

文献信息

• Synthesis and O₂-binding properties of tetraphenylporphyrinatoiron(<scp>II</scp>) derivatives bearing a proximal imidazole covalently bound at the β-pyrrolic position
  作者：Eishun Tsuchida、Teruyuki Komatsu、Shin-ichi Kumamoto、Katsutoshi Ando、Hiroyuki Nishide

  DOI：10.1039/p29950000747

  日期：——

  20-Tetrakis(o-pivalamidophenyl)porphyrins (TPVP) and their iron(II) derivatives bearing a proximal imidazole covalently bound at the 2-(β-pyrrolic) position have been synthesized. The visible absorption maxima (λmax) of the 2-substituted TPVP with an electron withdrawing group attached is shifted toward the red region (7–11 nm) compared with that of the original TPVP. The iron(II) complexes having an imidazolyl

  已经合成了5,10,15,20-四（邻-新戊酰胺基苯基）卟啉（TPVP）及其带有在2-（β-吡咯基）位置共价结合的近端咪唑的铁（II）衍生物。可见光的吸收最大值（λ最大2-取代TPVP的）具有连接吸电子基团朝向与原始TPVP相比红色区域（7-11纳米）移位。在β-吡咯位置具有咪唑基的铁（II）配合物是五个配位物种，在氩气下具有分子内结合的碱基，并且响应于O 2可逆地形成稳定的双氧加合物-甲苯中25°C的压力。这些分子充当有效的携带双氧的分子。描述了O 2与2-取代的Fe（TPVP）配合物结合的动力学。
• ISOLATION MATERIAL FOR HORMONE DISRUPTING SUBSTANCE, METHOD OF CONCENTRATING AND METHOD OF CLEAN-UP
  申请人：Japan Envirochemicals, Ltd.

  公开号：EP1514597A1

  公开（公告）日：2005-03-16

  The present invention relates to an isolation material for an endocrine disruptor, which is prepared by immobilizing an anti-endocrine disruptor antibody to a graft-chain-containing carrier made of a polymeric material via covalent binding. According to the present invention, an isolation material for an endocrine disruptor, which is capable of specific and efficient isolation of an endocrine disruptor, and an endocrine disruptor concentration and a clean-up method capable of specific and efficient concentration or clean-up of an endocrine disruptor at a high rate can be afforded.

  本发明涉及一种内分泌干扰物的分离材料，其制备方法是通过共价结合将抗内分泌干扰物抗体固定在聚合物材料制成的含接枝链载体上。根据本发明，可以提供一种用于内分泌干扰物的分离材料，该材料能够特异、高效地分离内分泌干扰物，还可以提供一种内分泌干扰物浓缩和净化方法，该方法能够特异、高效地浓缩或高速净化内分泌干扰物。
• Isolation material for hormone disrupting substance, method of concentrating and method of clean-up
  申请人：Saito Kyoichi

  公开号：US20060216761A1

  公开（公告）日：2006-09-28

  The present invention relates to an isolation material for an endocrine disrupter, which is prepared by immobilizing an anti-endocrine disrupter antibody to a graft-chain-containing carrier made of a polymeric material via covalent binding. According to the present invention, an isolation material for an endocrine disrupter, which is capable of specific and efficient isolation of an endocrine disruptor, and an endocrine disrupter concentration and a clean-up method capable of specific and efficient concentration or clean-up of an endocrine disruptor at a high rate can be afforded.
• Leukotriene receptor antagonists. 1. Synthesis and structure-activity relationships of alkoxyacetophenone derivatives
  作者：Winston S. Marshall、Theodore Goodson、George J. Cullinan、Dorothy Swanson-Bean、Klaus D. Haisch、Lynn E. Rinkema、Jerome H. Fleisch

  DOI：10.1021/jm00387a018

  日期：1987.4

  A series of derivatives of 2,4-dihydroxy-3-propylacetophenone(1) were prepared and examined for their ability to block leukotriene D4 (LTD4) induced contraction of guinea pig ileum. Straight-chain carboxylic acids where the carboxyl group was separated from the acetophenone moiety by varying numbers of methylenes were evaluated, and maximum activity was obtained with the pentamethylene acid (6). Examination of ring substitution showed that the 2-propyl-3-hydroxy-4-acetyl substitution pattern was required for maximum LTD4 antagonist activity. Additional chain terminal groups were examined, and the acidic 5-tetrazolyl group separated from the acetophenone moiety by four to seven methylenes (26, 23, 27, 28) gave excellent in vitro and in vivo activities. Compound 26 (LY171883) had the best balance of in vitro and in vivo activity. It lacked bronchospastic activity at the doses administered and has been chosen for clinical evaluation.