tert-butyl (1-{6-[(4-methylpyridin-2-yl)amino]-2,4'-bipyridin-2'-yl}pyrrolidin-3-yl)carbamate | 1370453-42-1

• 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: tert-butyl (1-{6-[(4-methylpyridin-2-yl)amino]-2,4'-bipyridin-2'-yl}pyrrolidin-3-yl)carbamate
• 英文别名: tert-butyl N-[1-[4-[6-[(4-methylpyridin-2-yl)amino]pyridin-2-yl]pyridin-2-yl]pyrrolidin-3-yl]carbamate
• CAS: 1370453-42-1
• 化学式: C₂₅H₃₀N₆O₂
• 分子量: 446.552
• InChiKey: AAULYIOBJVNLSQ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.3
• 重原子数：
  33
• 可旋转键数：
  7
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.36
• 拓扑面积：
  92.3
• 氢给体数：
  2
• 氢受体数：
  7

反应信息

• 作为反应物：
  描述：

  tert-butyl (1-{6-[(4-methylpyridin-2-yl)amino]-2,4'-bipyridin-2'-yl}pyrrolidin-3-yl)carbamate 在 三氟乙酸 作用下， 以 二氯甲烷 为溶剂， 生成 2'-(3-aminopyrrolidin-1-yl)-N-(4-methylpyridin-2-yl)-2,4'-bipyridin-6-amine
  参考文献：
  名称：

  Highly potent aminopyridines as Syk kinase inhibitors

  摘要：

  A novel class of potent Syk inhibitors has been developed from rational design. Highly potent aminopyridine derivatives bearing a 4-trifluoromethyl-2-pyridyl motif and represented by compound 13b IC50: 0.6 nM were identified. Substitution by a 2-pyrazinyl motif and SAR expansion in position 4 of the central core provided diverse potent non-cytotoxic Syk inhibitors showing nanomolar activity inhibiting human mast cell line LAD2 degranulation. (C) 2012 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2012.07.045
• 作为产物：
  描述：

  2,6-二溴吡啶 在 1,1'-双(二苯膦基)二茂铁二氯化钯(II)二氯甲烷复合物 、 potassium tert-butylate 、 sodium carbonate 、 potassium carbonate 作用下， 以 乙醇 、 二甲基亚砜 、 甲苯 、 苯 为溶剂， 生成 tert-butyl (1-{6-[(4-methylpyridin-2-yl)amino]-2,4'-bipyridin-2'-yl}pyrrolidin-3-yl)carbamate
  参考文献：
  名称：

  Highly potent aminopyridines as Syk kinase inhibitors

  摘要：

  A novel class of potent Syk inhibitors has been developed from rational design. Highly potent aminopyridine derivatives bearing a 4-trifluoromethyl-2-pyridyl motif and represented by compound 13b IC50: 0.6 nM were identified. Substitution by a 2-pyrazinyl motif and SAR expansion in position 4 of the central core provided diverse potent non-cytotoxic Syk inhibitors showing nanomolar activity inhibiting human mast cell line LAD2 degranulation. (C) 2012 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2012.07.045