Acridin-9-yl-benzo[1,3]dioxol-5-yl-acetic acid methyl ester | 58778-29-3

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 喹啉及其衍生物
• 英文名称: Acridin-9-yl-benzo[1,3]dioxol-5-yl-acetic acid methyl ester
• 英文别名: methyl 2-acridin-9-yl-2-(1,3-benzodioxol-5-yl)acetate
• CAS: 58778-29-3
• 化学式: C₂₃H₁₇NO₄
• 分子量: 371.392
• InChiKey: OOTHGTPTLCSOEZ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.8
• 重原子数：
  28
• 可旋转键数：
  4
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.13
• 拓扑面积：
  57.6
• 氢给体数：
  0
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  Acridin-9-yl-benzo[1,3]dioxol-5-yl-acetic acid methyl ester 在 氨 作用下， 生成 2-Acridin-9-yl-2-benzo[1,3]dioxol-5-yl-acetamide
  参考文献：
  名称：

  Synthesis and structure-activity relationships of 9-substituted acridines as endothelin-A receptor antagonists

  摘要：

  Screening of a compound library against endothelin receptors (ET(A) and ET(B)) revealed PD 102566 (compound 1) as an ET(A) selective antagonist. Synthesis,and structure-activity relationships (SAR) of a series of analogs are described. Copyright (C) 1996 Elsevier Science Ltd

  DOI：

  10.1016/s0960-894x(96)00551-3
• 作为产物：
  描述：

  9-氯吖啶 、 苯并[1,3]二氧代l-5-乙酸甲酯 在 sodium hydride 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 以60%的产率得到Acridin-9-yl-benzo[1,3]dioxol-5-yl-acetic acid methyl ester
  参考文献：
  名称：

  Synthesis and structure-activity relationships of 9-substituted acridines as endothelin-A receptor antagonists

  摘要：

  Screening of a compound library against endothelin receptors (ET(A) and ET(B)) revealed PD 102566 (compound 1) as an ET(A) selective antagonist. Synthesis,and structure-activity relationships (SAR) of a series of analogs are described. Copyright (C) 1996 Elsevier Science Ltd

  DOI：

  10.1016/s0960-894x(96)00551-3

文献信息

• Synthesis and structure-activity relationships of 9-substituted acridines as endothelin-A receptor antagonists
  作者：X.-M. Cheng、C. Lee、S. Klutchko、T. Winters、E.E. Reynolds、K.M. Welch、M.A. Flynn、A.M. Doherty

  DOI：10.1016/s0960-894x(96)00551-3

  日期：1996.12

  Screening of a compound library against endothelin receptors (ET(A) and ET(B)) revealed PD 102566 (compound 1) as an ET(A) selective antagonist. Synthesis,and structure-activity relationships (SAR) of a series of analogs are described. Copyright (C) 1996 Elsevier Science Ltd