3-(Bromomethyl)-6-tert.butylpyridine | 110931-71-0

• 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: 3-(Bromomethyl)-6-tert.butylpyridine
• 英文别名: 5-(Bromomethyl)-2-tert-butylpyridine
• CAS: 110931-71-0
• 化学式: C₁₀H₁₄BrN
• 分子量: 228.132
• InChiKey: FMECMZFEILFFIJ-UHFFFAOYSA-N

物化性质

• 沸点：
  264.6±25.0 °C(Predicted)
• 密度：
  1.275±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  3.1
• 重原子数：
  12
• 可旋转键数：
  2
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.5
• 拓扑面积：
  12.9
• 氢给体数：
  0
• 氢受体数：
  1

反应信息

• 作为反应物：
  描述：

  3-(Bromomethyl)-6-tert.butylpyridine 、 6-氯-2-吲哚羧酸甲酯 在 sodium hydride 作用下， 生成
  参考文献：
  名称：

  Discovery of indole inhibitors of chemokine receptor 9 (CCR9)

  摘要：

  Irritable bowel diseases (IBD) such as Crohn's disease (CD) and ulcerative colitis (UC) are serious chronic diseases affecting millions of patients worldwide. Studies of human chemokine biology has suggested C-C chemokine receptor 9 (CCR9) may be a key mediator of pro-inflammatory signaling. Discovery of agents that inhibit CCR9 may lead to new therapies for CD and UC patients. Herein we describe the evolution of a high content screening hit (1) into potent inhibitors of CCR9, such as azaindole 12. (C) 2016 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2016.05.043

文献信息

• US4939148A
  申请人：——

  公开号：US4939148A

  公开（公告）日：1990-07-03
• US5112851A
  申请人：——

  公开号：US5112851A

  公开（公告）日：1992-05-12
• Discovery of indole inhibitors of chemokine receptor 9 (CCR9)
  作者：Bhaumik A. Pandya、Christian Baber、Audrey Chan、Brian Chamberlain、Haoqun Chandonnet、Jennifer Goss、Timothy Hopper、Blaise Lippa、Katherine Poutsiaka、Jan Romero、Sabrina Stucka、Mustafa Varoglu、Jing Zhang、Xin Zhang

  DOI：10.1016/j.bmcl.2016.05.043

  日期：2016.7

  Irritable bowel diseases (IBD) such as Crohn's disease (CD) and ulcerative colitis (UC) are serious chronic diseases affecting millions of patients worldwide. Studies of human chemokine biology has suggested C-C chemokine receptor 9 (CCR9) may be a key mediator of pro-inflammatory signaling. Discovery of agents that inhibit CCR9 may lead to new therapies for CD and UC patients. Herein we describe the evolution of a high content screening hit (1) into potent inhibitors of CCR9, such as azaindole 12. (C) 2016 Elsevier Ltd. All rights reserved.