4-氨基-8-溴-2-甲基喹啉 | 288151-51-9

• 物质功能分类: 医药中间体 - 喹啉类化合物
• 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
• 中文名称: 4-氨基-8-溴-2-甲基喹啉
• 英文名称: 8-bromo-2-methyl-4-quinolinamine
• 英文别名: 4-amino-8-bromo-2-methylquinoline；8-bromo-2-methylquinolin-4-amine
• CAS: 288151-51-9
• 化学式: C₁₀H₉BrN₂
• 分子量: 237.099
• InChiKey: VXQZWWFUQGSMAV-UHFFFAOYSA-N

物化性质

• 沸点：
  382.2±37.0 °C(Predicted)
• 密度：
  1.564±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2.6
• 重原子数：
  13
• 可旋转键数：
  0
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.1
• 拓扑面积：
  38.9
• 氢给体数：
  1
• 氢受体数：
  2

安全信息

• 危险品标志：
  Xi
• WGK Germany：
  3
• 危险标志：
  GHS05,GHS06
• 危险性描述：
  H301,H318
• 危险性防范说明：
  P280,P301 + P310,P305 + P351 + P338

反应信息

• 作为反应物：
  描述：

  4-氨基-8-溴-2-甲基喹啉 、 三丁基乙烯基锡 在 bis-triphenylphosphine-palladium(II) chloride lithium chloride 作用下， 以 DMF (N,N-dimethyl-formamide) 为溶剂， 反应 20.0h， 生成 4-amino-2-methyl-8-vinylquinoline
  参考文献：
  名称：

  Phenyl urea and phenyl thiourea derivatives as orexin receptor antagonists

  摘要：

  本发明提供了苯基脲和苯基硫脲衍生物，它们是人类俄雷欣受体的非肽拮抗剂，特别是俄雷欣-1受体的化学式(I)中的化合物 其中： Z代表氧或硫；R1至R7代表各种取代基团；以及其药学上可接受的盐。特别地，这些化合物可能用于治疗肥胖，包括2型（非胰岛素依赖性）糖尿病患者和/或睡眠障碍中观察到的肥胖。

  公开号：

  US06699879B1

文献信息

• Discovery of 4-Amino-8-quinoline Carboxamides as Novel, Submicromolar Inhibitors of NAD-Hydrolyzing Enzyme CD38
  作者：J. David Becherer、Eric E. Boros、Tiffany Y. Carpenter、David J. Cowan、David N. Deaton、Curt D. Haffner、Michael R. Jeune、Istvan W. Kaldor、J. Chuck Poole、Frank Preugschat、Tara R. Rheault、Christie A. Schulte、Barry G. Shearer、Todd W. Shearer、Lisa M. Shewchuk、Terrence L. Smalley、Eugene L. Stewart、J. Darren Stuart、John C. Ulrich

  DOI：10.1021/acs.jmedchem.5b00992

  日期：2015.9.10

  Starting from the micromolar 8-quinoline carboxamide high-throughput screening hit la, a systematic exploration of the structure activity relationships (SAR) of the 4-, 6-, and 8-substituents of the quinoline ring resulted in the identification of approximately 10-100-fold more potent human CD38 inhibitors. Several of these molecules also exhibited pharmacokinetic parameters suitable for in vivo animal studies, including low clearances and decent oral bioavailability. Two of these CD38 inhibitors, 1ah and 1ai, were shown to elevate NAB tissue levels in liver and muscle in a diet-induced obese (DIO) C57BL/6 mouse model. These inhibitor tool compounds will enable further biological studies of the CD38 enzyme as well as the investigation of the therapeutic implications of NAD enhancement in disease models of abnormally low NAD.
• PHENYL UREA AND PHENYL THIOUREA DERIVATIVES AS OREXIN RECEPTOR ANTAGONISTS
  申请人：SmithKline Beecham plc

  公开号：EP1150977B1

  公开（公告）日：2004-08-25
• Bone Modulators And Methods Therewith
  申请人：Espina Virginia

  公开号：US20120065166A1

  公开（公告）日：2012-03-15

  THE INVENTION RELATES TO compositions, compounds, proteins and methods of treatment therewith. Aspects of embodiments also relate to a method of treating a patient by delivering to the tissues of said patient or administering to said patient a therapeutically effective amount of one or more compounds. Aspects of embodiments also relate to a method of detecting the presence of bone disease by machine-assaying detectable serotonin. Aspects of embodiments also relate to methods of treating disease in subjects.
• US6699879B1
  申请人：——

  公开号：US6699879B1

  公开（公告）日：2004-03-02