2,2-dimethylpropionic acid 4-methyl-2,5-dioxo-2,5-dihydro-1H-6-oxa-1-aza-chrysen-10-yl ester | 943435-30-1

• 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: 2,2-dimethylpropionic acid 4-methyl-2,5-dioxo-2,5-dihydro-1H-6-oxa-1-aza-chrysen-10-yl ester
• 英文别名: (4-methyl-2,5-dioxo-1H-chromeno[3,4-f]quinolin-10-yl) 2,2-dimethylpropanoate
• CAS: 943435-30-1
• 化学式: C₂₂H₁₉NO₅
• 分子量: 377.397
• InChiKey: ALKXKGRBMIZLSA-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.5
• 重原子数：
  28
• 可旋转键数：
  3
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.23
• 拓扑面积：
  81.7
• 氢给体数：
  1
• 氢受体数：
  5

反应信息

• 作为产物：
  描述：

  [7-Bromo-8-(but-3-enoylamino)-6-oxobenzo[c]chromen-1-yl] 2,2-dimethylpropanoate 在 palladium diacetate 、 三乙胺 、 三(邻甲基苯基)磷 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 生成 2,2-dimethylpropionic acid 4-methyl-2,5-dioxo-2,5-dihydro-1H-6-oxa-1-aza-chrysen-10-yl ester
  参考文献：
  名称：

  Discovery of a novel series of nonsteroidal androgen receptor modulators: 5- or 6-oxachrysen-2-ones

  摘要：

  A novel oxachrysenone series (2) of nonsteroidal selective androgen receptor modulators (SARM) was developed based on the 6-aryl-2-quinolinones (1). Synthesis and preliminary SAR results based on in vitro assays are discussed. In the cotransfection assay, lead compound 5d showed AR agonist activity more potent than dihydrotestosterone (DHT), whereas compound 17b was a potent antagonist similar to bicalutamide. (c) 2008 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2008.03.085

文献信息

• Androgen Receptor Modulator Compounds and Methods
  申请人：Van Oeveren Cornelis Arjan

  公开号：US20090203725A1

  公开（公告）日：2009-08-13

  Provided herein are compounds that bind to androgen receptors and/or modulate activity of androgen receptors and/or modulate the amount of androgen receptors; and to methods for making and using such compounds. Also provided are compositions containing such compounds and methods for making and using such compositions.
• [EN] ANDROGEN RECEPTOR MODULATOR COMPOUNDS AND METHODS<br/>[FR] COMPOSES ET PROCEDES MODULATEURS DE RECEPTEURS ANDROGENES
  申请人：LIGAND PHARM INC

  公开号：WO2007075884A2

  公开（公告）日：2007-07-05

  [EN] Provided herein are compounds that bind to androgen receptors and/or modulate activity of androgen receptors and/or modulate the amount of androgen receptors; and to methods for making and using such compounds. Also provided are compositions containing such compounds and methods for making and using such compositions.
  [FR] La présente invention concerne des composés qui lient à des récepteurs androgènes et/ou modulent l'activité de récepteurs androgène et/ou modulent la quantité de ces récepteurs, ainsi que des procédés de fabrication et d'utilisation de tels composés. Sont également fournies des compositions contenant de tels composés et les procédés de fabrication et d'utilisation de telles compositions.