5-bromo-2-chloro-N-(2-cyclopentylethyl)pyrimidin-4-amine | 1054314-40-7

• 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-2-chloro-N-(2-cyclopentylethyl)pyrimidin-4-amine
• CAS: 1054314-40-7
• 化学式: C₁₁H₁₅BrClN₃
• 分子量: 304.617
• InChiKey: MTPPQDRYIJVNMJ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.7
• 重原子数：
  16
• 可旋转键数：
  4
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.64
• 拓扑面积：
  37.8
• 氢给体数：
  1
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  sodium cyanide 、 5-bromo-2-chloro-N-(2-cyclopentylethyl)pyrimidin-4-amine 在 三乙烯二胺 作用下， 以 水 、 二甲基亚砜 为溶剂， 反应 4.0h， 生成 5-bromo-4-(2-cyclopentyl-ethylamino)-pyrimidine-2-carbonitrile
  参考文献：
  名称：

  Discovery of Orally Bioavailable Cathepsin S Inhibitors for the Reversal of Neuropathic Pain

  摘要：

  Cathepsin S inhibitors are well-known to be an attractive target as immunological therapeutic agents. Recently, Our gene expression analysis identified that cathepsin S inhibitors could also be effective for neuropathic pain. Herein, we describe the efficacy of selective cathepsin S inhibitors as antihyperalgesics in a model of neuropathic pain in rats after oral administration.

  DOI：

  10.1021/jm800839j
• 作为产物：
  描述：

  5-溴-2,4-二氯嘧啶 、 2-环戊基-乙胺 在 三乙胺 作用下， 以 甲醇 为溶剂， 反应 18.0h， 生成 5-bromo-2-chloro-N-(2-cyclopentylethyl)pyrimidin-4-amine
  参考文献：
  名称：

  Discovery of Orally Bioavailable Cathepsin S Inhibitors for the Reversal of Neuropathic Pain

  摘要：

  Cathepsin S inhibitors are well-known to be an attractive target as immunological therapeutic agents. Recently, Our gene expression analysis identified that cathepsin S inhibitors could also be effective for neuropathic pain. Herein, we describe the efficacy of selective cathepsin S inhibitors as antihyperalgesics in a model of neuropathic pain in rats after oral administration.

  DOI：

  10.1021/jm800839j

文献信息

• Discovery of Orally Bioavailable Cathepsin S Inhibitors for the Reversal of Neuropathic Pain
  作者：Osamu Irie、Takatoshi Kosaka、Takeru Ehara、Fumiaki Yokokawa、Takanori Kanazawa、Hajime Hirao、Astuko Iwasaki、Junichi Sakaki、Naoki Teno、Yuko Hitomi、Genji Iwasaki、Hiroaki Fukaya、Kazuhiko Nonomura、Keiko Tanabe、Shinichi Koizumi、Noriko Uchiyama、Stuart J. Bevan、Marzia Malcangio、Clive Gentry、Alyson J. Fox、Mohammed Yaqoob、Andrew J. Culshaw、Allan Hallett

  DOI：10.1021/jm800839j

  日期：2008.9.25

  Cathepsin S inhibitors are well-known to be an attractive target as immunological therapeutic agents. Recently, Our gene expression analysis identified that cathepsin S inhibitors could also be effective for neuropathic pain. Herein, we describe the efficacy of selective cathepsin S inhibitors as antihyperalgesics in a model of neuropathic pain in rats after oral administration.