(5-Bromo-pyrimidin-2-yl)-(2-pyrrolidin-1-yl-ethyl)-amine | 887950-83-6

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 二嗪类
• 英文名称: (5-Bromo-pyrimidin-2-yl)-(2-pyrrolidin-1-yl-ethyl)-amine
• 英文别名: 5-Bromo-N-[2-(1-pyrrolidinyl)ethyl]-2-pyrimidinamine；5-bromo-N-(2-pyrrolidin-1-ylethyl)pyrimidin-2-amine
• CAS: 887950-83-6
• 化学式: C₁₀H₁₅BrN₄
• 分子量: 271.16
• InChiKey: NZQRPFDGLLFWAW-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.7
• 重原子数：
  15
• 可旋转键数：
  4
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.6
• 拓扑面积：
  41
• 氢给体数：
  1
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  (5-Bromo-pyrimidin-2-yl)-(2-pyrrolidin-1-yl-ethyl)-amine 在 palladium bis[bis(diphenylphosphino)ferrocene] dichloride sodium hydride 、 sodium carbonate 作用下， 以 乙二醇二甲醚 、 二氯甲烷 、 水 为溶剂， 反应 2.0h， 生成 1-[5-(3-Cyano-phenyl)-pyrimidin-2-yl]-3-(4-fluoro-3-trifluoromethyl-phenyl)-1-(2-pyrrolidin-1-yl-ethyl)-urea
  参考文献：
  名称：

  Bicyclic[4.1.0]heptanes as phenyl replacements for melanin concentrating hormone receptor antagonists

  摘要：

  Melanin concentrating hormone (MCH) receptor antagonists have been proposed as potential treatments of obesity. MCH receptor antagonists with a biphenylamine subunit have been reported previously at Schering-Plough. Herein, we report the discovery of bicyclo[4.1.0]heptanes as replacements for the middle phenyl ring of the biphenylamine moiety, in order to eliminate its potential mutagenic liability. Structure-activity relationships in this series were found to be very similar to those of the original biphenylamine series, suggesting that the two series have similar binding modes. (c) 2006 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmc.2005.12.046
• 作为产物：
  描述：

  1-(2-氨乙基)吡咯烷 、 5-溴-2-氯嘧啶 在 N,N-二异丙基乙胺 作用下， 以 N-甲基吡咯烷酮 为溶剂， 以1.2 g的产率得到(5-Bromo-pyrimidin-2-yl)-(2-pyrrolidin-1-yl-ethyl)-amine
  参考文献：
  名称：

  含三氮唑的核输出蛋白抑制剂

  摘要：

  本申请属于药物化学领域，提供了一种含三氮唑的核输出蛋白抑制剂及其制备方法，并涉及其在制备治疗肿瘤的药物中的用途。

  公开号：

  CN115703764A

文献信息

• 含三氮唑的核输出蛋白抑制剂
  申请人：正大天晴药业集团股份有限公司

  公开号：CN115703764A

  公开（公告）日：2023-02-17

  本申请属于药物化学领域，提供了一种含三氮唑的核输出蛋白抑制剂及其制备方法，并涉及其在制备治疗肿瘤的药物中的用途。
• Bicyclic[4.1.0]heptanes as phenyl replacements for melanin concentrating hormone receptor antagonists
  作者：Ruo Xu、Shengjian Li、Jaroslava Paruchova、Mark D. McBriar、Henry Guzik、Anandan Palani、John W. Clader、Kathleen Cox、William J. Greenlee、Brian E. Hawes、Timothy J. Kowalski、Kim O’Neill、Brian D. Spar、Blair Weig、Daniel J. Weston

  DOI：10.1016/j.bmc.2005.12.046

  日期：2006.5

  Melanin concentrating hormone (MCH) receptor antagonists have been proposed as potential treatments of obesity. MCH receptor antagonists with a biphenylamine subunit have been reported previously at Schering-Plough. Herein, we report the discovery of bicyclo[4.1.0]heptanes as replacements for the middle phenyl ring of the biphenylamine moiety, in order to eliminate its potential mutagenic liability. Structure-activity relationships in this series were found to be very similar to those of the original biphenylamine series, suggesting that the two series have similar binding modes. (c) 2006 Elsevier Ltd. All rights reserved.