4-(4-isopropylphenyl)phthalazin-1(2H)-one | 102990-38-5

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 二嗪类
• 英文名称: 4-(4-isopropylphenyl)phthalazin-1(2H)-one
• 英文别名: 4-(4-propan-2-ylphenyl)-2H-phthalazin-1-one
• CAS: 102990-38-5
• 化学式: C₁₇H₁₆N₂O
• 分子量: 264.327
• InChiKey: CABHESZBHVHQKB-UHFFFAOYSA-N

物化性质

• 密度：
  1.17±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  3.8
• 重原子数：
  20
• 可旋转键数：
  2
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.18
• 拓扑面积：
  41.5
• 氢给体数：
  1
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  4-(4-isopropylphenyl)phthalazin-1(2H)-one 在 哌啶 、 potassium carbonate 、 一水合肼 作用下， 以 乙醇 、 丙酮 为溶剂， 反应 42.0h， 生成 N′-benzylidene-2-[4-(4-isopropylphenyl)-1-oxophthalazin-2(1H)-yl]acetohydrazide
  参考文献：
  名称：

  作为抗菌剂的酞嗪和酞嗪杂化物：合成和生物学评价

  摘要：

  酞嗪和酞嗪酮衍生物由于其显着的生物活性和药理特性而非常重要。在此，以苯甲酸衍生物（2）、苯并恶嗪-1-酮衍生物（3）和氧代酞嗪-2（1H）-基）乙酰肼（13）为前驱体，构建了一系列具有多种有价值的酞嗪酮类化合物。通过几种简单而有前途的方法以优异的产量获得官能团。最后，筛选了新合成的酞嗪类对不同微生物菌株的抗菌活性；即以阿莫西林为标准药物的革兰氏阴性菌和革兰氏阳性菌。

  DOI：

  10.1177/1747519819883840
• 作为产物：
  描述：

  异丙苯 在 吡啶 、 aluminum (III) chloride 、 盐酸羟胺 、 ammonium acetate 作用下， 反应 17.0h， 生成 4-(4-isopropylphenyl)phthalazin-1(2H)-one
  参考文献：
  名称：

  作为抗菌剂的酞嗪和酞嗪杂化物：合成和生物学评价

  摘要：

  酞嗪和酞嗪酮衍生物由于其显着的生物活性和药理特性而非常重要。在此，以苯甲酸衍生物（2）、苯并恶嗪-1-酮衍生物（3）和氧代酞嗪-2（1H）-基）乙酰肼（13）为前驱体，构建了一系列具有多种有价值的酞嗪酮类化合物。通过几种简单而有前途的方法以优异的产量获得官能团。最后，筛选了新合成的酞嗪类对不同微生物菌株的抗菌活性；即以阿莫西林为标准药物的革兰氏阴性菌和革兰氏阳性菌。

  DOI：

  10.1177/1747519819883840

文献信息

• POTASSIUM CHANNEL MODULATORS
  申请人：Brown Brian S.

  公开号：US20110124642A1

  公开（公告）日：2011-05-26

  Disclosed herein are KCNQ potassium channels modulators of formula (I) wherein ring Z 1 , R 1 , p, R 3 , and R 4 are as defined in the specification. Compositions comprising such compounds; and methods for treating conditions and disorders using such compounds and compositions are also described.

  本文披露了具有以下结构的KCNQ钾通道调节剂（I）： 其中环Z 1 ，R 1 ，p，R 3 和R 4 如规范中所定义。还描述了包含这些化合物的组合物；以及使用这些化合物和组合物治疗疾病和疾病的方法。
• Potassium channel modulators
  申请人：Brown Brian S.

  公开号：US08629143B2

  公开（公告）日：2014-01-14

  Disclosed herein are KCNQ potassium channels modulators of formula (I) wherein ring Z1, R1, p, R3, and R4 are as defined in the specification. Compositions comprising such compounds; and methods for treating conditions and disorders using such compounds and compositions are also described.

  本文揭示了式(I)的KCNQ钾通道调节剂，其中环Z1、R1、p、R3和R4如规范中所定义。还描述了包含这些化合物的组合物；以及使用这些化合物和组合物治疗疾病和疾病的方法。
• Novel antiasthmatic agents with dual activities of thromboxane A2 synthetase inhibition and bronchodilation. 1. 2-[2-(1-Imidazolyl)alkyl]-1(2H)-phthalazinones
  作者：Masahisa Yamaguchi、Kenshi Kamei、Takaki Koga、Michitaka Akima、Toshio Kuroki、Nobuhiro Ohi

  DOI：10.1021/jm00077a008

  日期：1993.12

  A number of 4-substituted 2-[omega-(1-imidazolyl)allryl]-1(2H)-phthalazinones were synthesized in order to develop agents possessing both thromboxane Az synthetase inhibitory and bronchodilatory activities. The pharmacological evaluation of these compounds disclosed that they have both activities to various extents. Both activities were slightly dependent on the length of the 2-substituents and largely affected by the nature of the 4-substituents. Compounds bearing phenyl and thienyl groups exhibited relatively high and well-rounded activities. Among these compounds, 12j and 15f were found to be the most effective agents having well-rounded activities in vitro and in vivo. Introduction of a carboxyl group reduced both activities contrary to our expectation. 4-(3-Pyridyl)phthalazinone 18b was of particular interest because of unexpectedly high in vivo activities in spite of an absence of significant in vitro activities.
• 4-Arylphthalazin-1(2H)-one derivatives as potent antagonists of the melanin concentrating hormone receptor 1 (MCH-R1)
  作者：Chae Jo Lim、Soo Hee Kim、Byung Ho Lee、Kwang-Seok Oh、Kyu Yang Yi

  DOI：10.1016/j.bmcl.2011.10.111

  日期：2012.1

  A novel series of 4-arylphthalazin-1(2H)-one linked to arylpiperidines were synthesized and evaluated as MCH-R1 antagonists. The results of an extensive SAR study probing the effects of substituents on the 4-arylphthalazin-1(2H)-one C-4 aryl group led to the identification of the 4-(3,4-difluorophenyl) derivative as a highly potent MCH-R1 inhibitor with an IC50 = 1 nM. However, further investigations showed that this substance has unacceptable pharmacokinetic properties including a high clearance and volume of distribution. (C) 2011 Elsevier Ltd. All rights reserved.
• Soliman, A. Youssef; El-Komy, M. Ali Sayed, Egyptian Journal of Chemistry, 1999, vol. 42, # 3, p. 301 - 308
  作者：Soliman, A. Youssef、El-Komy, M. Ali Sayed

  DOI：——

  日期：——