(4S)-N-methyl-N-{(1S)-1-[4-(methyloxy)phenyl]ethyl}-3,4-dihydro-2H-pyrano[3,2-b]pyridin-4-amine | 899811-21-3

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吡喃吡啶类
• 英文名称: (4S)-N-methyl-N-{(1S)-1-[4-(methyloxy)phenyl]ethyl}-3,4-dihydro-2H-pyrano[3,2-b]pyridin-4-amine
• 英文别名: (4S)-N-[(1S)-1-(4-methoxyphenyl)ethyl]-N-methyl-3,4-dihydro-2H-pyrano[3,2-b]pyridin-4-amine
• CAS: 899811-21-3
• 化学式: C₁₈H₂₂N₂O₂
• 分子量: 298.385
• InChiKey: PBBXETIUSYCXSU-BBRMVZONSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.7
• 重原子数：
  22
• 可旋转键数：
  4
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.39
• 拓扑面积：
  34.6
• 氢给体数：
  0
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  (4S)-N-methyl-N-{(1S)-1-[4-(methyloxy)phenyl]ethyl}-3,4-dihydro-2H-pyrano[3,2-b]pyridin-4-amine 在 三氟乙酸 作用下， 生成 (S)-N-methyl-3,4-dihydro-2H-pyrano[3,2-b]pyridin-4-amine
  参考文献：
  名称：

  [EN] CXCR4 MODULATORS AND USES RELATED THERETO
  [FR] MODULATEURS DE CXCR4 ET LEURS UTILISATIONS

  摘要：

  CXCR4 antagonists and pharmaceutical formulations thereof are disclosed. The compounds and pharmaceutical formulations disclosed herein can be used to antagonize the CXCR4 pathway for mobilizing stem cells or treating a condition, disorder, or disease associated with the CXCR4 pathway. Exemplary conditions, disorders, and diseases relevant to this disclosure include HIV infections, WHIM syndrome, Waldenström macroglobulinemia, chronic neutropenia, primary immune-deficiency, aplastic anemia, hypoplastic myelodysplastic syndrome, acute respiratory distress syndrome (ARDS), ankylosing spondylitis, autoimmune diseases, and cancers.

  公开号：

  WO2023003862A1
• 作为产物：
  描述：

  (S)-(-)-1-(4-甲氧基苯)乙胺 在 titanium(IV) isopropylate 、 三乙酰氧基硼氢化钠 、 溶剂黄146 作用下， 以 四氢呋喃 、 水 、 1,2-二氯乙烷 为溶剂， 反应 4.0h， 生成 (4S)-N-methyl-N-{(1S)-1-[4-(methyloxy)phenyl]ethyl}-3,4-dihydro-2H-pyrano[3,2-b]pyridin-4-amine
  参考文献：
  名称：

  [EN] CXCR4 MODULATORS AND USES RELATED THERETO
  [FR] MODULATEURS DE CXCR4 ET LEURS UTILISATIONS

  摘要：

  CXCR4 antagonists and pharmaceutical formulations thereof are disclosed. The compounds and pharmaceutical formulations disclosed herein can be used to antagonize the CXCR4 pathway for mobilizing stem cells or treating a condition, disorder, or disease associated with the CXCR4 pathway. Exemplary conditions, disorders, and diseases relevant to this disclosure include HIV infections, WHIM syndrome, Waldenström macroglobulinemia, chronic neutropenia, primary immune-deficiency, aplastic anemia, hypoplastic myelodysplastic syndrome, acute respiratory distress syndrome (ARDS), ankylosing spondylitis, autoimmune diseases, and cancers.

  公开号：

  WO2023003862A1

文献信息

• Chemical Compounds
  申请人：Gudmundsson Kristjan

  公开号：US20080207634A1

  公开（公告）日：2008-08-28

  There is provided novel compounds that demonstrate protective effects on target cells from HIV infection in a manner as to bind to a chemokine receptor, and which affect the binding of the natural ligand or chemokine to a receptor such as CXCR4 of a target cell.

  提供了一种新的化合物，它通过结合趋化因子受体的方式对目标细胞具有保护作用，影响自然配体或趋化因子与目标细胞的CXCR4等受体的结合。
• WO2006/76131
  申请人：——

  公开号：——

  公开（公告）日：——
• [EN] CXCR4 MODULATORS AND USES RELATED THERETO<br/>[FR] MODULATEURS DE CXCR4 ET LEURS UTILISATIONS
  申请人：[en]EMORY UNIVERSITY

  公开号：WO2023003862A1

  公开（公告）日：2023-01-26

  CXCR4 antagonists and pharmaceutical formulations thereof are disclosed. The compounds and pharmaceutical formulations disclosed herein can be used to antagonize the CXCR4 pathway for mobilizing stem cells or treating a condition, disorder, or disease associated with the CXCR4 pathway. Exemplary conditions, disorders, and diseases relevant to this disclosure include HIV infections, WHIM syndrome, Waldenström macroglobulinemia, chronic neutropenia, primary immune-deficiency, aplastic anemia, hypoplastic myelodysplastic syndrome, acute respiratory distress syndrome (ARDS), ankylosing spondylitis, autoimmune diseases, and cancers.