4-(6-Nitro-quinolin-4-yl)-piperazine-1-carboxylic acid tert-butyl ester | 227957-04-2

• 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: 4-(6-Nitro-quinolin-4-yl)-piperazine-1-carboxylic acid tert-butyl ester
• 英文别名: Tert-butyl 4-(6-nitroquinolin-4-yl)piperazine-1-carboxylate
• CAS: 227957-04-2
• 化学式: C₁₈H₂₂N₄O₄
• 分子量: 358.397
• InChiKey: CZLFYOSDGDJMGI-UHFFFAOYSA-N

物化性质

• 沸点：
  530.7±50.0 °C(Predicted)
• 密度：
  1.283±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2.8
• 重原子数：
  26
• 可旋转键数：
  3
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.44
• 拓扑面积：
  91.5
• 氢给体数：
  0
• 氢受体数：
  6

反应信息

• 作为反应物：
  描述：

  4-(6-Nitro-quinolin-4-yl)-piperazine-1-carboxylic acid tert-butyl ester 在 palladium on activated charcoal 吡啶 、 盐酸 、 氢气 作用下， 以 四氢呋喃 、 乙醇 、 二氯甲烷 为溶剂， 反应 49.5h， 生成 4-tert-butyl-N-(4-piperazin-1-yl-quinolin-6-yl)benzenesulfonamide
  参考文献：
  名称：

  Novel (4-piperazin-1-ylquinolin-6-yl) arylsulfonamides with high affinity and selectivity for the 5-HT6 receptor

  摘要：

  The discovery of (4-piperazin-1-ylquinolin-6-yl) arylsulfonamides and their binding affinites for a selection of 5-HT and dopamine subreceptors is described. Many compounds show high afffinity (pK(i) > 8) for the 5-HT6 receptor and > 100-fold selectivity against a range of other receptors. Structure-activity relationships of these compounds are discussed. (C) 2001 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0960-894x(01)00558-3
• 作为产物：
  描述：

  4-氯-6-硝基喹啉 在 potassium carbonate 作用下， 以 四氢呋喃 、 甲苯 为溶剂， 反应 96.0h， 生成 4-(6-Nitro-quinolin-4-yl)-piperazine-1-carboxylic acid tert-butyl ester
  参考文献：
  名称：

  Novel (4-piperazin-1-ylquinolin-6-yl) arylsulfonamides with high affinity and selectivity for the 5-HT6 receptor

  摘要：

  The discovery of (4-piperazin-1-ylquinolin-6-yl) arylsulfonamides and their binding affinites for a selection of 5-HT and dopamine subreceptors is described. Many compounds show high afffinity (pK(i) > 8) for the 5-HT6 receptor and > 100-fold selectivity against a range of other receptors. Structure-activity relationships of these compounds are discussed. (C) 2001 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0960-894x(01)00558-3

文献信息

• 2, 6-Di-Nitrogen-Containing Substituted Purine Derivative, And Preparation Method, Pharmaceutical Composition And Use Thereof
  申请人：ZHEJIANG MEDICINE CO., LTD. XINCHANG PHARMACEUTICAL FACTORY

  公开号：US20160207924A1

  公开（公告）日：2016-07-21

  The present invention provides a 2, 6-di-nitrogen-containing substituted purine derivative having a formula (I) structure, or pharmaceutical salt or hydrate thereof, and preparation method and use thereof. The compound is broad spectrum anticancer, low toxicity, high anticancer activity and good stability.

  本发明提供了一种具有式（I）结构的2,6-二氮含量取代嘌呤衍生物，或其药用盐或水合物，以及其制备方法和用途。该化合物具有广谱抗癌、低毒性、高抗癌活性和良好稳定性。
• 2, 6-DI-NITROGEN-CONTAINING SUBSTITUTED PURINE DERIVATIVE, AND PREPARATION METHOD, PHARMACEUTICAL COMPOSITION AND USE THEREOF
  申请人：Zhejiang Medicine Co., Ltd. Xinchang Pharmaceutical Factory

  公开号：EP3040337A1

  公开（公告）日：2016-07-06

  The present invention provides a a 2, 6-di-nitrogen-containing substituted purine derivative having a formula (I) structure, or pharmaceutical salt or hydrate thereof, and preparation method and use thereof. The compound is broad spectrum anticancer, low toxicity, high anticancer activity and good stability.

  本发明提供了一种具有式（I）结构的2，6-二氮取代嘌呤衍生物或其药物盐或水合物及其制备方法和用途。该化合物具有广谱抗癌、毒性低、抗癌活性高、稳定性好等特点。
• QUINOLINEPIPERAZINE AND QUINOLINEPIPERIDINE DERIVATIVES, THEIR PREPARATION AND THEIR USE AS COMBINED 5-HT1A, 5-HT1B AND 5-HT1D RECEPTOR ANTAGONISTS
  申请人：SMITHKLINE BEECHAM PLC

  公开号：EP1047691A1

  公开（公告）日：2000-11-02
• SULFONAMIDE DERIVATIVES
  申请人：SMITHKLINE BEECHAM PLC

  公开号：EP1228066A2

  公开（公告）日：2002-08-07
• US9718823B2
  申请人：——

  公开号：US9718823B2

  公开（公告）日：2017-08-01