2-<(2,2-dimethyl-2H-1-benzopyran-6-yl)<3-(3-pyridinylmethoxy)phenyl>methylene>hydrazinecarboximidamide

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 苯并吡喃
• 英文名称: 2-<(2,2-dimethyl-2H-1-benzopyran-6-yl)<3-(3-pyridinylmethoxy)phenyl>methylene>hydrazinecarboximidamide
• 英文别名: 2-{(2,2-dimethyl-2H-1-benzopyran-6-yl)[3-(3-pyridinylmethoxy)phenyl]methylene}hydrazinecarboximidamide；2-[(Z)-[(2,2-dimethylchromen-6-yl)-[3-(pyridin-3-ylmethoxy)phenyl]methylidene]amino]guanidine
• 化学式: C₂₅H₂₅N₅O₂
• 分子量: 427.506
• InChiKey: LOOTUYZVDLFDOY-BYNJWEBRSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.7
• 重原子数：
  32
• 可旋转键数：
  6
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.16
• 拓扑面积：
  108
• 氢给体数：
  2
• 氢受体数：
  5

反应信息

• 作为产物：
  描述：

  3-吡啶甲醇 在 manganese(IV) oxide 、 叔丁基锂 、 硝酸 、 三苯基膦 、 偶氮二甲酸二乙酯 作用下， 以 四氢呋喃 、 乙醇 、 二氯甲烷 为溶剂， 反应 64.25h， 生成 2-<(2,2-dimethyl-2H-1-benzopyran-6-yl)<3-(3-pyridinylmethoxy)phenyl>methylene>hydrazinecarboximidamide
  参考文献：
  名称：

  Guanabenz-related amidinohydrazones: potent non-azole inhibitors of aldosterone biosynthesis

  摘要：

  A new series of potent, guanabenz-derived, non-steroidal aldosterone biosynthesis inhibitors are presented. Salient features of the structure-activity relationship indicate the requirement of a hydrophobic core, presence of a hydrophilic (or basic) peripheral appendage, and, in some cases, profound dependence on hydrazone stereochemistry. The most potent compound of the series, 29, was 2 orders of magnitude more potent than guanabenz as an aldosterone biosynthesis inhibitor.

  DOI：

  10.1016/0223-5234(94)90040-x

文献信息

• Guanabenz-related amidinohydrazones: potent non-azole inhibitors of aldosterone biosynthesis
  作者：RM Soll、PJ Dollings、RD Mitchell、DA Hafner

  DOI：10.1016/0223-5234(94)90040-x

  日期：1994.1

  A new series of potent, guanabenz-derived, non-steroidal aldosterone biosynthesis inhibitors are presented. Salient features of the structure-activity relationship indicate the requirement of a hydrophobic core, presence of a hydrophilic (or basic) peripheral appendage, and, in some cases, profound dependence on hydrazone stereochemistry. The most potent compound of the series, 29, was 2 orders of magnitude more potent than guanabenz as an aldosterone biosynthesis inhibitor.