2-Amino-4-bromopyrimidin-5-ol | 1260763-82-3

• 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: 2-Amino-4-bromopyrimidin-5-ol
• CAS: 1260763-82-3
• 化学式: C₄H₄BrN₃O
• 分子量: 189.999
• InChiKey: LXRPVCGTYPEIIL-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.5
• 重原子数：
  9
• 可旋转键数：
  0
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  72
• 氢给体数：
  2
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  2-Amino-4-bromopyrimidin-5-ol 、 在 palladium bis[bis(diphenylphosphino)ferrocene] dichloride 、 sodium carbonate 作用下， 以 1,4-二氧六环 、 水 为溶剂， 生成 N-[2-(2-amino-5-hydroxypyrimidin-4-yl)-4-chlorophenyl]-4-tert-butylbenzenesulfonamide
  参考文献：
  名称：

  Biarylsulfonamide CCR9 inhibitors for inflammatory bowel disease

  摘要：

  Inflammatory bowel disease, including Crohn's disease and ulcerative colitis, affects millions of people worldwide. CCR9 has been shown to be a key chemokine receptor mediating the local inflammatory responses in the GI tract. The CCR9 inhibitor Vercirnon advanced to phase 3 clinical trials, but carries several liabilities which we sought to improve. (C) 2015 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2015.06.046

文献信息

• Biarylsulfonamide CCR9 inhibitors for inflammatory bowel disease
  作者：Jing Zhang、Jan Romero、Audrey Chan、Jennifer Goss、Sabrina Stucka、Jason Cross、Brian Chamberlain、Mustafa Varoglu、Haoqun Chandonnet、Dominic Ryan、Blaise Lippa

  DOI：10.1016/j.bmcl.2015.06.046

  日期：2015.9

  Inflammatory bowel disease, including Crohn's disease and ulcerative colitis, affects millions of people worldwide. CCR9 has been shown to be a key chemokine receptor mediating the local inflammatory responses in the GI tract. The CCR9 inhibitor Vercirnon advanced to phase 3 clinical trials, but carries several liabilities which we sought to improve. (C) 2015 Elsevier Ltd. All rights reserved.