Propanoic acid, 2,2-dimethyl-, 1,2-dihydro-2,2-dimethyl-7-quinolinylester | 179899-12-8

• 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: Propanoic acid, 2,2-dimethyl-, 1,2-dihydro-2,2-dimethyl-7-quinolinylester
• 英文别名: 1,2-dihydro-2,2-dimethyl-7-(1,1,1-trimethylacetoxy)quinoline
• CAS: 179899-12-8
• 化学式: C₁₆H₂₁NO₂
• 分子量: 259.348
• InChiKey: JEUMINGHWPUGII-UHFFFAOYSA-N

物化性质

• 沸点：
  360.2±42.0 °C(Predicted)
• 密度：
  1.032±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  3.86
• 重原子数：
  19.0
• 可旋转键数：
  1.0
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.44
• 拓扑面积：
  38.33
• 氢给体数：
  1.0
• 氢受体数：
  3.0

反应信息

• 作为反应物：
  描述：

  Propanoic acid, 2,2-dimethyl-, 1,2-dihydro-2,2-dimethyl-7-quinolinylester 在 palladium on activated charcoal 甲醇 、 氢氧化钾 、 氢气 、 zinc(II) chloride 作用下， 以 乙醇 、 乙酸乙酯 为溶剂， 生成 6,7-Dihydro-8,8-dimethyl-4-(trifluoromethyl)-8H-pyrano[3,2-g]quinolin-2(1H)-one
  参考文献：
  名称：

  Nonsteroidal androgen receptor agonists based on 4-(trifluoromethyl)-2H-pyrano[3,2-g]quinolin-2-one

  摘要：

  A series of 2H-pyrano[3,2-g]quinolin-2-ones was prepared and tested for the ability to modulate the transcriptional activity of the human androgen receptor (hAR). The parent compound, 4-(trifluoromethyl)-2H-pyrano[3,2-g]quinolin-2-one, displayed moderate interaction with hAR, but substituted analogues were potent hAR modulators in vitro as mesaured by an hAR cotransfection assay in CV-I cells and bound to hAR with high affinity in a whole cell assay. Several analogues were able to activate hAR-mediated gene transcription more potently and efficaciously than dihydrotestosterone. (C) 1999 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0960-894x(99)00118-3
• 作为产物：
  描述：

  在 copper(l) chloride 作用下， 以 四氢呋喃 为溶剂， 生成 Propanoic acid, 2,2-dimethyl-, 1,2-dihydro-2,2-dimethyl-7-quinolinylester
  参考文献：
  名称：

  Nonsteroidal androgen receptor agonists based on 4-(trifluoromethyl)-2H-pyrano[3,2-g]quinolin-2-one

  摘要：

  A series of 2H-pyrano[3,2-g]quinolin-2-ones was prepared and tested for the ability to modulate the transcriptional activity of the human androgen receptor (hAR). The parent compound, 4-(trifluoromethyl)-2H-pyrano[3,2-g]quinolin-2-one, displayed moderate interaction with hAR, but substituted analogues were potent hAR modulators in vitro as mesaured by an hAR cotransfection assay in CV-I cells and bound to hAR with high affinity in a whole cell assay. Several analogues were able to activate hAR-mediated gene transcription more potently and efficaciously than dihydrotestosterone. (C) 1999 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0960-894x(99)00118-3

文献信息

• Steroid receptor modulator compounds and methods
  申请人：Ligand Pharmaceuticals Incorporated

  公开号：US05693646A1

  公开（公告）日：1997-12-02

  Non-steroidal compounds which are high affinity, high selectivity modulators for steroid receptors are disclosed. Also disclosed are pharmaceutical compositions incorporating such compounds, methods for employing the disclosed compounds and compositions for treating patients requiring steroid receptor agonist or antagonist therapy, intermediates useful in the preparation of the compounds and processes for the preparation of the steroid receptor modulator compounds.

  披露了对类固醇受体具有高亲和力、高选择性调节剂的非类固醇化合物。还披露了包含这些化合物的药物组合物、使用所披露的化合物和组合物治疗需要类固醇受体激动剂或拮抗剂治疗的患者的方法，以及在制备这些化合物中有用的中间体和制备类固醇受体调节剂化合物的过程。