(5-(2-amino-5-chloro-3-methylphenyl)-2,2-dimethyl-1,3,4-oxadiazol-3(2H)-yl)(3-bromo-1-(3-chloropyridin-2-yl)-1H-pyrazol-5-yl)methanone | 1609006-98-5

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 唑类
• 英文名称: (5-(2-amino-5-chloro-3-methylphenyl)-2,2-dimethyl-1,3,4-oxadiazol-3(2H)-yl)(3-bromo-1-(3-chloropyridin-2-yl)-1H-pyrazol-5-yl)methanone
• CAS: 1609006-98-5
• 化学式: C₂₀H₁₇BrCl₂N₆O₂
• 分子量: 524.204
• InChiKey: UEOLIDCORVKKGR-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.8
• 重原子数：
  31.0
• 可旋转键数：
  3.0
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.2
• 拓扑面积：
  98.63
• 氢给体数：
  1.0
• 氢受体数：
  7.0

反应信息

• 作为产物：
  描述：

  3-溴-1-(3-氯-2-吡啶)-1H-吡唑-5-羧酸 在 草酰氯 、 三乙胺 、 N,N-二甲基甲酰胺 作用下， 以 二氯甲烷 为溶剂， 反应 7.0h， 生成 (5-(2-amino-5-chloro-3-methylphenyl)-2,2-dimethyl-1,3,4-oxadiazol-3(2H)-yl)(3-bromo-1-(3-chloropyridin-2-yl)-1H-pyrazol-5-yl)methanone
  参考文献：
  名称：

  Synthesis and biological activities of 2,3-dihydro-1,3,4-oxadiazole compounds and its derivatives as potential activator of ryanodine receptors

  摘要：

  A series of novel 2,3-dihydro-1,3,4-oxadiazoles containing N-pyridylpyrazole carboxamides moieties were obtained by applying a new synthetic route. Their insecticidal tests against oriental armyworm (Mythimna separata) and diamondback moth (Plutella xylostella) indicated that most of the compounds showed moderate to excellent activities at the testing concentrations. In particular, compound 6a showed 40% larvicidal activities against oriental armyworm at 1 mg/L, while 7a against diamondback was 100% at 0.01 mg/L. Calcium imaging results demonstrated that 6a, 6d and 7a stimulated a transient elevation in [Ca2+](i) in the absence of external calcium after the central neurons dye loading with fluo-3 AM, implying that these novel compounds were potential activators of the ligand-gated calcium channel on the endoplasmic reticulum. (C) 2014 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2014.03.077