2-pyridylethylisocyanate | 56914-14-8

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吡啶及其衍生物
• 英文名称: 2-pyridylethylisocyanate
• 英文别名: 2-(2-Isocyanatoethyl)pyridine
• CAS: 56914-14-8
• 化学式: C₈H₈N₂O
• 分子量: 148.164
• InChiKey: YDLMXTOYVKFGLE-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.7
• 重原子数：
  11
• 可旋转键数：
  3
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.25
• 拓扑面积：
  42.3
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  2-pyridylethylisocyanate 、 N-甲基-1-萘胺 以 四氢呋喃 为溶剂， 生成 3-Methyl-3-(1-napthyl)-1-(2-pyridylethyl)urea
  参考文献：
  名称：

  Substituted ureas and thioureas and pharmaceutical compositions thereof

  摘要：

  揭示了一种通过给哺乳动物投与有效量的1-吡啶基烷基-3-萘基-2(硫)脲来改善前列腺素内源产生的方法。还揭示了新的取代的1-吡啶基烷基-3-萘基-2(硫)脲及其治疗组合物，这些组合物在执行该发明方法中非常有用。还揭示了治疗哺乳动物对前列腺素敏感的临床病症的方法，例如男性不育症、表皮损伤、子宫萎缩性出血、血栓栓塞性疾病等临床病症。

  公开号：

  US04008326A1

文献信息

• Ureido-substituted sulfamates show potent carbonic anhydrase IX inhibitory and antiproliferative activities against breast cancer cell lines
  作者：Jean-Yves Winum、Fabrizio Carta、Carol Ward、Peter Mullen、David Harrison、Simon P. Langdon、Alessandro Cecchi、Andrea Scozzafava、Ian Kunkler、Claudiu T. Supuran

  DOI：10.1016/j.bmcl.2012.05.083

  日期：2012.7

  A series of 50 sulfamates were obtained by reacting 4-aminophenol with isocyanates followed by sulfamoylation. Most of the new compounds were nanomolar inhibitors of the tumor-associated carbonic anhydrase (CA, EC 4.2.1.1) isoforms IX and XII, whereas they inhibited less cytosolic offtarget isoforms CA I and II. Some of these sulfamates showed significant antiproliferative activity in several breast cancer cell lines, such as SKBR3, MCF10A, ZR75/1, MDA-MB-361 and MCF7, constituting interesting anticancer leads. (C) 2012 Elsevier Ltd. All rights reserved.
• US4008326A
  申请人：——

  公开号：US4008326A

  公开（公告）日：1977-02-15
• Substituted ureas and thioureas and pharmaceutical compositions thereof
  申请人：The Upjohn Company

  公开号：US04008326A1

  公开（公告）日：1977-02-15

  A method of improving the endogenous production of prostaglandins by a mammal is disclosed, which comprises administering to the mammal an effective amount of 1-pyridylalkyl-3-naphthyl-2(thio)ureas. Disclosed also are novel substituted 1-pyridylalkyl-3-naphthyl-2(thio)ureas and therapeutic compositions thereof which are useful in carrying out the method of the invention. Disclosed also are methods of treating mammals for clinical conditions responsive to prostaglandins, such as, for example, male infertility, epidermal injuries, atonic uterine bleeding, thromboembolic disease and like clinical conditions.

  揭示了一种通过给哺乳动物投与有效量的1-吡啶基烷基-3-萘基-2(硫)脲来改善前列腺素内源产生的方法。还揭示了新的取代的1-吡啶基烷基-3-萘基-2(硫)脲及其治疗组合物，这些组合物在执行该发明方法中非常有用。还揭示了治疗哺乳动物对前列腺素敏感的临床病症的方法，例如男性不育症、表皮损伤、子宫萎缩性出血、血栓栓塞性疾病等临床病症。