Sodium;4-(4-acetylanilino)-1-amino-9,10-dioxoanthracene-2-sulfonate | 1007600-11-4

• 分子结构分类: 有机化合物 - 苯类化合物 - 蒽
• 英文名称: Sodium;4-(4-acetylanilino)-1-amino-9,10-dioxoanthracene-2-sulfonate
• CAS: 1007600-11-4
• 化学式: C₂₂H₁₅N₂O₆S*Na
• 分子量: 458.427
• InChiKey: ZEFFHAAJFSXHDB-UHFFFAOYSA-M

计算性质

• 辛醇/水分配系数(LogP)：
  -0.1
• 重原子数：
  32
• 可旋转键数：
  4
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.05
• 拓扑面积：
  155
• 氢给体数：
  2
• 氢受体数：
  8

反应信息

• 作为产物：
  描述：

  sodium 1-amino-4-bromoanthraquinone-2-sulfonate 、 4-氨基苯乙酮 在 sodium carbonate 、 copper(II) sulfate 作用下， 以 水 为溶剂， 反应 48.0h， 以74%的产率得到Sodium;4-(4-acetylanilino)-1-amino-9,10-dioxoanthracene-2-sulfonate
  参考文献：
  名称：

  Combinatorial synthesis of anilinoanthraquinone derivatives and evaluation as non-nucleotide-derived P2Y2 receptor antagonists

  摘要：

  A library of anilinoanthraquinone derivatives was synthesized by parallel Ullmann coupling reaction of bromaminic acid with aniline derivatives in solution using a compact parallel synthesizer. The products were purified by HPLC and evaluated as antagonists at mouse and human P2Y(2) receptors. 4-Phenylamino-substituted 1-amino-2-sulfoanthraquinones, for example, 1-amino-4-(2-methoxyphenyl)-2-sulfoanthraquinone (PSB-716), were potent P2Y(2) antagonists with IC50 values in the low micromolar range. (C) 2007 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2007.10.082

文献信息

• Combinatorial synthesis of anilinoanthraquinone derivatives and evaluation as non-nucleotide-derived P2Y2 receptor antagonists
  作者：Stefanie Weyler、Younis Baqi、Petra Hillmann、Marko Kaulich、Andrea M. Hunder、Ingrid A. Müller、Christa E. Müller

  DOI：10.1016/j.bmcl.2007.10.082

  日期：2008.1

  A library of anilinoanthraquinone derivatives was synthesized by parallel Ullmann coupling reaction of bromaminic acid with aniline derivatives in solution using a compact parallel synthesizer. The products were purified by HPLC and evaluated as antagonists at mouse and human P2Y(2) receptors. 4-Phenylamino-substituted 1-amino-2-sulfoanthraquinones, for example, 1-amino-4-(2-methoxyphenyl)-2-sulfoanthraquinone (PSB-716), were potent P2Y(2) antagonists with IC50 values in the low micromolar range. (C) 2007 Elsevier Ltd. All rights reserved.