3-碘-6-苯氧基-哒嗪 | 1033705-98-4

• 分子结构分类: 有机化合物 - 有机氧化合物
• 中文名称: 3-碘-6-苯氧基-哒嗪
• 英文名称: 3-iodo-6-phenoxy-pyridazine
• 英文别名: 3-iodo-6-phenoxypyridazine
• CAS: 1033705-98-4
• 化学式: C₁₀H₇IN₂O
• 分子量: 298.083
• InChiKey: KVIHILIBZBDANN-UHFFFAOYSA-N

物化性质

• 沸点：
  394.9±27.0 °C(Predicted)
• 密度：
  1.768±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2.4
• 重原子数：
  14
• 可旋转键数：
  2
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  35
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  3-碘-6-苯氧基-哒嗪 在 bis-triphenylphosphine-palladium(II) chloride 、 copper(l) iodide 、 氢气 、 二异丙胺 作用下， 以 四氢呋喃 、 乙醇 为溶剂， -10.0~20.0 ℃ 、344.75 kPa 条件下， 生成 {4-[3-(6-phenoxy-pyridazin-3-yl)-propoxy]-phenyl}-methanol
  参考文献：
  名称：

  Design, synthesis and evaluation of MCH receptor 1 antagonists—Part II: Optimization of pyridazines toward reduced phospholipidosis and hERG inhibition

  摘要：

  Despite recent success there remains a high therapeutic need for the development of drugs targeting diseases associated with the metabolic syndrome. As part of our search for safe and effective MCH-R1 antagonists for the treatment of obesity, a series of 3,6-disubstituted pyridazines was evaluated. During optimization several issues of the initial lead structures had to be resolved, such as selectivity over related GPCRs, inhibition of the hERG channel as well as the potential to induce phospholipidosis. Utilizing property-based design, we could demonstrate that all parameters can significantly be improved by consequently increasing the polarity of the compounds. By this strategy, we succeeded in identifying potent and orally available MCH-R1 antagonists with good selectivity over M1 and 5-HT2A and an improved safety profile with respect to hERG inhibition and phospholipidosis. (C) 2015 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2015.05.074
• 作为产物：
  描述：

  3,6-二碘哒嗪 、 苯酚 在 potassium carbonate 作用下， 以 乙腈 为溶剂， 反应 24.25h， 以94.5%的产率得到3-碘-6-苯氧基-哒嗪
  参考文献：
  名称：

  WO2008/71646

  摘要：

  公开号：

文献信息

• New compounds, pharmaceutical compositions and uses thereof
  申请人：ROTH Gerald Juergen

  公开号：US20120214785A1

  公开（公告）日：2012-08-23

  The invention relates to new compounds of the formula I to their use as medicaments, to methods for their therapeutic use and to pharmaceutical compositions containing them.

  这项发明涉及到公式I的新化合物及其作为药物的用途，以及用于治疗的方法和含有这些化合物的药物组合物。
• [EN] NEW COMPOUNDS, PHARMACEUTICAL COMPOSITIONS AND USES THEREOF<br/>[FR] NOUVEAUX COMPOSÉS, COMPOSITIONS PHARMACEUTIQUES, ET LEURS UTILISATIONS
  申请人：BOEHRINGER INGELHEIM INT

  公开号：WO2012028676A1

  公开（公告）日：2012-03-08

  The invention relates to new compounds of the formula (I) to their use as medicaments, to methods for their therapeutic use and to pharmaceutical compositions containing them.

  该发明涉及公式（I）的新化合物，以及它们作为药物的用途，用于它们的治疗用途的方法以及含有它们的药物组合物。
• NEW COMPOUNDS, PHARMACEUTICAL COMPOSITIONS AND USES THEREOF
  申请人：ROTH Gerald Juergen

  公开号：US20120157425A1

  公开（公告）日：2012-06-21

  The invention relates to new piperidine derivatives of the formula I to their use as medicaments, to methods for their therapeutic use and to pharmaceutical compositions containing them.

  该发明涉及新的哌啶衍生物，其化学式I，用作药物，用于治疗的方法以及含有它们的药物组合物。
• 一种哒嗪衍生物及其制备方法和医药用途
  申请人：杭州华东医药集团新药研究院有限公司

  公开号：CN111349077B

  公开（公告）日：2022-06-28

  本发明涉及一种式(I)所示的哒嗪衍生物，及在制备预防和/或治疗与HIF调节有关的适应症的药物中的用途。本发明的哒嗪衍生物是理想的高效HIF‑PHD抑制剂，可用于治疗或预防与HIF调节有关的病症或疾病，例如贫血和缺血，
• New (hetero)aryl compounds with MCH antagonistic activity and medicaments comprising these compounds
  申请人：Roth Juergen Gerald

  公开号：US20070111981A1

  公开（公告）日：2007-05-17

  The present invention relates to (hetero)aryl compounds of general formula I wherein the groups and radicals A, B, Q, W, X, Y, Z, R 1 , R 2 , R 4a , R 4b , R 5a , R 5b , have the meanings given in claim 1 . Moreover the invention relates to pharmaceutical compositions containing at least one compound according to the invention. By virtue of their MCH-receptor antagonistic activity the pharmaceutical compositions according to the invention are suitable for the treatment of metabolic disorders and/or eating disorders, particularly obesity, bulimia, anorexia, hyperphagia and diabetes.

  本发明涉及一般式I的（杂）芳基化合物，其中A、B、Q、W、X、Y、Z、R1、R2、R4a、R4b、R5a和R5b基团和基团具有权利要求1中给出的含义。此外，本发明涉及至少含有本发明中的一种化合物的制药组合物。由于其MCH受体拮抗活性，根据本发明的制药组合物适用于治疗代谢紊乱和/或进食障碍，尤其是肥胖症、贪食症、厌食症、暴食症和糖尿病。