tert-butyl 4-(((1-(5-methylpyridin-2-yl)ethyl)amino)butyl)carbamate | 1279695-23-6

• 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 4-(((1-(5-methylpyridin-2-yl)ethyl)amino)butyl)carbamate
• 英文别名: {4-[1-(5-Methyl-pyridin-2-yl)-ethylamino]-butyl}-carbamic acid tert-butyl ester；tert-butyl N-[4-[1-(5-methylpyridin-2-yl)ethylamino]butyl]carbamate
• CAS: 1279695-23-6
• 化学式: C₁₇H₂₉N₃O₂
• 分子量: 307.436
• InChiKey: XEJJUKNNIAGQIO-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.4
• 重原子数：
  22
• 可旋转键数：
  9
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.65
• 拓扑面积：
  63.2
• 氢给体数：
  2
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  tert-butyl 4-(((1-(5-methylpyridin-2-yl)ethyl)amino)butyl)carbamate 在 氢溴酸 、 溶剂黄146 、 N,N-二异丙基乙胺 、 potassium iodide 作用下， 以 乙腈 为溶剂， 生成 N1-((1H-benzo[d]imidazol-2-yl)methyl)-N1-(1-(5-methylpyridin-2-yl)ethyl)butane-1,4-diamine hydrobromide
  参考文献：
  名称：

  Design of novel CXCR4 antagonists that are potent inhibitors of T-tropic (X4) HIV-1 replication

  摘要：

  A novel series of CXCR4 antagonists were identified based on the substantial redesign of AMD070. These compounds possessed potent anti-HIV-1 activity and showed excellent pharmacokinetics in rat and dog. (C) 2011 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2011.01.021
• 作为产物：
  描述：

  2-乙酰基-5-甲基吡啶 、 N-叔丁氧羰基-1,4-丁二胺 在 三乙酰氧基硼氢化钠 作用下， 以 二氯甲烷 为溶剂， 生成 tert-butyl 4-(((1-(5-methylpyridin-2-yl)ethyl)amino)butyl)carbamate
  参考文献：
  名称：

  Design of novel CXCR4 antagonists that are potent inhibitors of T-tropic (X4) HIV-1 replication

  摘要：

  A novel series of CXCR4 antagonists were identified based on the substantial redesign of AMD070. These compounds possessed potent anti-HIV-1 activity and showed excellent pharmacokinetics in rat and dog. (C) 2011 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2011.01.021

文献信息

• CXCR4 chemokine receptor binding comounds
  申请人：——

  公开号：US20040209921A1

  公开（公告）日：2004-10-21

  The present invention relates to compounds that bind to chemokine receptors, and having the formula 1 wherein each A, X, Y, R 1 , R 2 and R 3 are substituents. The present invention also relates to methods of using such compounds, such as in treating HIV infection and inflammatory conditions such as rheumatoid arthritis. Furthermore, the present invention relates to methods to elevate progenitor and stem cell counts, as well as methods to elevate white blood cell counts, using such compounds.

  本发明涉及与趋化因子受体结合的化合物，其具有式1的结构，其中A、X、Y、R1、R2和R3均为取代基。本发明还涉及使用这类化合物的方法，例如在治疗HIV感染和炎症性疾病如类风湿性关节炎中的应用。此外，本发明还涉及使用这类化合物来提高祖细胞和干细胞计数的方法，以及提高白细胞计数的方法。
• CXCR4 CHEMOKINE RECEPTOR BINDING COMPOUNDS
  申请人：BRIDGER Gary J.

  公开号：US20080255197A1

  公开（公告）日：2008-10-16

  The present invention relates to compounds that bind to chemokine receptors, and having the formula wherein each A, X, Y, R 1 , R 2 and R 3 are substituents. The present invention also relates to methods of using such compounds, such as in treating HIV infection and inflammatory conditions such as rheumatoid arthritis. Furthermore, the present invention relates to methods to elevate progenitor and stem cell counts, as well as methods to elevate white blood cell counts, using such compounds.

  本发明涉及与趋化因子受体结合的化合物，其具有以下式子： 其中每个A、X、Y、R1、R2和R3均为取代基。本发明还涉及使用这种化合物的方法，例如用于治疗HIV感染和炎症性疾病，如类风湿性关节炎。此外，本发明还涉及使用这种化合物提高祖细胞和干细胞数量的方法，以及提高白细胞计数的方法。
• CXCR4 chemokine receptor binding compounds
  申请人：Genzyme Corporation

  公开号：US07291631B2

  公开（公告）日：2007-11-06

  The present invention relates to compounds that bind to chemokine receptors, and having the formula wherein each A, X, Y, R1, R2 and R3 are substituents. The present invention also relates to methods of using such compounds, such as in treating HIV infection and inflammatory conditions such as rheumatoid arthritis. Furthermore, the present invention relates to methods to elevate progenitor and stem cell counts, as well as methods to elevate white blood cell counts, using such compounds.

  本发明涉及结合趋化因子受体的化合物，其具有以下式子： 其中每个A、X、Y、R1、R2和R3均为取代基。本发明还涉及使用这种化合物的方法，例如用于治疗HIV感染和炎症性疾病，如类风湿性关节炎。此外，本发明还涉及使用这种化合物提高祖细胞和干细胞计数的方法，以及提高白细胞计数的方法。
• US7291631B2
  申请人：——

  公开号：US7291631B2

  公开（公告）日：2007-11-06
• US7863293B2
  申请人：——

  公开号：US7863293B2

  公开（公告）日：2011-01-04