3-amino-phenyl magnesium (1+); bromide | 796884-31-6

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: 3-amino-phenyl magnesium (1+); bromide
• CAS: 796884-31-6
• 化学式: C₆H₆BrMgN
• 分子量: 196.329
• InChiKey: MEFOQAZCIWLMHB-UHFFFAOYSA-M

计算性质

• 辛醇/水分配系数(LogP)：
  0.91
• 重原子数：
  9.0
• 可旋转键数：
  1.0
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  26.02
• 氢给体数：
  1.0
• 氢受体数：
  1.0

反应信息

• 作为反应物：
  描述：

  3-amino-phenyl magnesium (1+); bromide 、 alkaline earth salt of/the/ methylsulfuric acid 生成 苯胺
  参考文献：
  名称：

  Spencer; Stokes, Journal of the Chemical Society, 1908, vol. 93, p. 71

  摘要：

  DOI：
• 作为产物：
  描述：

  间溴苯胺 、 alkaline earth salt of/the/ methylsulfuric acid 生成 3-amino-phenyl magnesium (1+); bromide
  参考文献：
  名称：

  Spencer; Stokes, Journal of the Chemical Society, 1908, vol. 93, p. 71

  摘要：

  DOI：

文献信息

• Discovery of a Novel Class of Bicyclo[3.1.0]hexanylpiperazines as Noncompetitive Neuropeptide Y Y1 Antagonists
  作者：Shuanghua Hu、Yazhong Huang、Milind Deshpande、Guanglin Luo、Marc A. Bruce、Ling Chen、Gail Mattson、Lawrence G. Iben、Jie Zhang、John W. Russell、Wendy J. Clarke、John B. Hogan、Astrid Ortiz、Oliver Flint、Andrew Henwood、Qi Gao、Ildiko Antal-Zimanyi、Graham S. Poindexter

  DOI：10.1021/ml200265m

  日期：2012.3.8

  A novel class of bicyclo[3.1.0]hexanylpiperazine neuropeptide Y (NPY) Y1 antagonists has been designed and synthesized. Scatchard binding analysis showed these compounds to be noncompetitive with [I-125]PYY binding to the Y1 receptor. The most potent member, 1-((1 alpha,3 alpha,5 alpha,6 beta)-6-(3-ethoxyphenyl)-3-methylbicyclo[3.1.0]hexan-6-yl)-4-phenylpiperazine (2) had an IC50 = 62 nM and displayed excellent oral bioavailability in rat (% F po = 80), as well as good brain penetration (B/P ratio = 0.61). In a spontaneous nocturnal feeding study with male Sprague-Dawley rats, 2 significantly reduced food intake during a 12 h period.
• Small molecule inhibitors of the CCR2b receptor. Part 1: Discovery and optimization of homopiperazine derivatives
  作者：Minoru Imai、Tatsuki Shiota、Ken-ichiro Kataoka、Christine M. Tarby、Wilna J. Moree、Takaharu Tsutsumi、Masaki Sudo、Michele M. Ramirez-Weinhouse、Daniel Comer、Chung-Ming Sun、Shinsuke Yamagami、Hiroko Tanaka、Takuya Morita、Takahiko Hada、Jonathan Greene、Doug Barnum、John Saunders、Peter L. Myers、Yoshinori Kato、Noriaki Endo

  DOI：10.1016/j.bmcl.2004.08.008

  日期：2004.11

  N',N'-Disubstituted homopiperazine derivatives have been discovered as CC-chemokine receptor 2b (CCR2b) inhibitors with submicromolar activity in the CCR2b binding assay. A 4-substituted benzyl group on one homopiperazine nitroger was an important moiety for binding affinity to the CCR2b receptor. The SAR for CCR2b binding affinity correlated inversely with the a factor of the functional group on this benzyl moiety. Introduction of hydroxy groups to appropriate positions in the 3,3-diphenylpropyl group on the other homopiperazine nitrogen increased CCR2b binding activity. The synthesis of an informer library to search for alternative substructures is also described. (C) 2004 Elsevier Ltd. All rights reserved.