C-[2-(4-methyl-piperazin-1-yl)indan-2-yl]methylamine | 1157497-23-8

• 分子结构分类: 有机化合物 - 苯类化合物 - 茚满类
• 英文名称: C-[2-(4-methyl-piperazin-1-yl)indan-2-yl]methylamine
• 英文别名: [2-(4-Methylpiperazin-1-yl)-1,3-dihydroinden-2-yl]methanamine
• CAS: 1157497-23-8
• 化学式: C₁₅H₂₃N₃
• mdl: MFCD12067379
• 分子量: 245.368
• InChiKey: RCXALQCEUCDZED-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1
• 重原子数：
  18
• 可旋转键数：
  2
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.6
• 拓扑面积：
  32.5
• 氢给体数：
  1
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  邻乙氧基苯甲酰氯 、 C-[2-(4-methyl-piperazin-1-yl)indan-2-yl]methylamine 在 吡啶 作用下， 反应 12.0h， 以42 mg的产率得到2-ethoxy-N-[2-(4-methylpiperazin-1-yl)indan-2-ylmethyl]benzamide
  参考文献：
  名称：

  Discovery of a novel series of selective HCN1 blockers

  摘要：

  The discovery of a series of novel, potent, and selective blockers of the cyclic nucleotide-modulated channel HCN1 is disclosed. Here we report an SAR study around a series of selective blockers of the HCN1 channel. Utilization of a high-throughput VIPR assay led to the identification of a novel series of 2,2-disubstituted indane derivatives, which had moderate selectivity and potency at HCN1. Optimization of this hit led to the identification of the potent, 1,1-disubstituted cyclohexane HCN1 blocker, 2-ethoxy- N-(( 1-(4-isopropylpiperazin-1-yl) cyclohexyl) methyl) benzamide. The work leading to the discovery of this compound is described herein. (C) 2011 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2011.07.051
• 作为产物：
  描述：

  2-(4-methylpiperazin-1-yl)indan-2-carbonitrile 在 lithium aluminium tetrahydride 作用下， 以 四氢呋喃 、 乙醚 为溶剂， 反应 2.0h， 生成 C-[2-(4-methyl-piperazin-1-yl)indan-2-yl]methylamine
  参考文献：
  名称：

  Discovery of a novel series of selective HCN1 blockers

  摘要：

  The discovery of a series of novel, potent, and selective blockers of the cyclic nucleotide-modulated channel HCN1 is disclosed. Here we report an SAR study around a series of selective blockers of the HCN1 channel. Utilization of a high-throughput VIPR assay led to the identification of a novel series of 2,2-disubstituted indane derivatives, which had moderate selectivity and potency at HCN1. Optimization of this hit led to the identification of the potent, 1,1-disubstituted cyclohexane HCN1 blocker, 2-ethoxy- N-(( 1-(4-isopropylpiperazin-1-yl) cyclohexyl) methyl) benzamide. The work leading to the discovery of this compound is described herein. (C) 2011 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2011.07.051