3-(4-Benzylsulfonylpiperazin-1-yl)-4-(2-ethoxyethoxy)-6-phenyl-pyridazine | 1310714-73-8

• 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: 3-(4-Benzylsulfonylpiperazin-1-yl)-4-(2-ethoxyethoxy)-6-phenyl-pyridazine
• 英文别名: 3-(4-benzylsulfonylpiperazin-1-yl)-4-(2-ethoxyethoxy)-6-phenylpyridazine
• CAS: 1310714-73-8
• 化学式: C₂₅H₃₀N₄O₄S
• 分子量: 482.604
• InChiKey: CUPOXWMPURIJRZ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.7
• 重原子数：
  34
• 可旋转键数：
  10
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.36
• 拓扑面积：
  93.2
• 氢给体数：
  0
• 氢受体数：
  8

反应信息

• 作为产物：
  描述：

  3(2H),哒嗪酮,4,5二氢-6-苯基-2-苄基 在 五氯化磷 、 sodium hydride 、 N,N-二异丙基乙胺 、 三氯氧磷 作用下， 以 四氢呋喃 、 甲醇 、 二甲基亚砜 为溶剂， 生成 3-(4-Benzylsulfonylpiperazin-1-yl)-4-(2-ethoxyethoxy)-6-phenyl-pyridazine
  参考文献：
  名称：

  SAR studies of pyridazinone derivatives as novel glucan synthase inhibitors

  摘要：

  A novel series of pyridazinone analogs has been developed as potent beta-1,3-glucan synthase inhibitors through structure-activity relationship study of the lead 5-[4-(benzylsulfonyl)piperazin-1-yl]-4-morpholino-2-phenyl-pyridazin-3(2H)-one (1). The effect of changes to the core structure is described in detail. Optimization of the sulfonamide moiety led to the identification of important compounds with much improved systematic exposure while retaining good antifungal activity against the fungal strains Candida glabrata and Candida albicans. Published by Elsevier Ltd.

  DOI：

  10.1016/j.bmcl.2011.03.083

文献信息

• SAR studies of pyridazinone derivatives as novel glucan synthase inhibitors
  作者：Gang Zhou、Pauline C. Ting、Robert Aslanian、Jianhua Cao、David W. Kim、Rongze Kuang、Joe F. Lee、John Schwerdt、Heping Wu、R. Jason Herr、Andrew J. Zych、Jinhai Yang、Sang Lam、Samuel Wainhaus、Todd A. Black、Paul M. McNicholas、Yiming Xu、Scott S. Walker

  DOI：10.1016/j.bmcl.2011.03.083

  日期：2011.5

  A novel series of pyridazinone analogs has been developed as potent beta-1,3-glucan synthase inhibitors through structure-activity relationship study of the lead 5-[4-(benzylsulfonyl)piperazin-1-yl]-4-morpholino-2-phenyl-pyridazin-3(2H)-one (1). The effect of changes to the core structure is described in detail. Optimization of the sulfonamide moiety led to the identification of important compounds with much improved systematic exposure while retaining good antifungal activity against the fungal strains Candida glabrata and Candida albicans. Published by Elsevier Ltd.