(S)-N-methyl-3,4-dihydro-2H-pyrano[3,2-b]pyridin-4-amine | 899811-22-4

• 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: (S)-N-methyl-3,4-dihydro-2H-pyrano[3,2-b]pyridin-4-amine
• 英文别名: (4S)-N-methyl-3,4-dihydro-2H-pyrano[3,2-b]pyridin-4-amine
• CAS: 899811-22-4
• 化学式: C₉H₁₂N₂O
• 分子量: 164.207
• InChiKey: XNBPJQKUNJTMIP-ZETCQYMHSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.4
• 重原子数：
  12
• 可旋转键数：
  1
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.44
• 拓扑面积：
  34.2
• 氢给体数：
  1
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  (S)-N-methyl-3,4-dihydro-2H-pyrano[3,2-b]pyridin-4-amine 在 三乙酰氧基硼氢化钠 、 溶剂黄146 、 三氟乙酸 作用下， 以 二氯甲烷 为溶剂， 生成 (4S)-N-methyl-N-((5-(4-methylpiperazin-1-yl)-1,2,3,4-tetrahydroisoquinolin-3-yl)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：

  (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

文献信息

• [EN] CXCR4 RECEPTOR ANTAGONISTS<br/>[FR] ANTAGONISTES DU RÉCEPTEUR CXCR4
  申请人：BRISTOL MYERS SQUIBB CO

  公开号：WO2017106291A1

  公开（公告）日：2017-06-22

  The invention generally relates to compounds of formula I which are antagonists of CXCR4. The invention includes pharmaceutically acceptable salts, compositions, methods of making the compounds of formula I, and methods of using the compounds of formula I for therapeutic indications. (I)

  本发明一般涉及式I化合物的制备，该化合物是CXCR4的拮抗剂。本发明包括药学上可接受的盐、制剂、制备式I化合物的方法，以及使用式I化合物进行治疗性应用的方法。(I)
• 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。
• CXCR4 receptor antagonists
  申请人：BRISTOL-MYERS SQUIBB COMPANY

  公开号：US10450318B2

  公开（公告）日：2019-10-22

  The invention generally relates to compounds of formula I which are antagonists of CXCR4. The invention includes pharmaceutically acceptable salts, compositions, methods of making the compounds of formula I, and methods of using the compounds of formula I for therapeutic indications.

  本发明一般涉及作为 CXCR4 拮抗剂的式 I 化合物。本发明包括药学上可接受的盐、组合物、制造式 I 化合物的方法以及将式 I 化合物用于治疗适应症的方法。
• WO2006/76131
  申请人：——

  公开号：——

  公开（公告）日：——
• CXCR4 RECEPTOR ANTAGONISTS
  申请人：Bristol-Myers Squibb Company

  公开号：EP3390406A1

  公开（公告）日：2018-10-24