3-(4-chlorophenyl)-6-iodopyridazine | 1446021-18-6

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 二嗪类
• 英文名称: 3-(4-chlorophenyl)-6-iodopyridazine
• CAS: 1446021-18-6
• 化学式: C₁₀H₆ClIN₂
• 分子量: 316.529
• InChiKey: GRVHHVLDOVOSAY-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.8
• 重原子数：
  14
• 可旋转键数：
  1
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  25.8
• 氢给体数：
  0
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  3-(4-chlorophenyl)-6-iodopyridazine 在 bis-triphenylphosphine-palladium(II) chloride 、 copper(l) iodide 、 氢气 、 三乙胺 、 二异丙胺 作用下， 以 四氢呋喃 、 乙醇 、 二氯甲烷 为溶剂， -10.0~20.0 ℃ 、344.75 kPa 条件下， 生成
  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-氯-6-(4-氯苯基)-哒嗪 在 盐酸 、 sodium iodide 作用下， 以 乙腈 为溶剂， 反应 4.0h， 生成 3-(4-chlorophenyl)-6-iodopyridazine
  参考文献：
  名称：

  New azetidine derivatives, pharmaceutical compositions and uses thereof

  摘要：

  该发明涉及新的氮杂环丙烷衍生物的公式I及其用作药物的用途，以及用于它们的治疗用途的方法和含有它们的药物组合物。

  公开号：

  US20130172316A1

文献信息

• [EN] NEW AZETIDINE DERIVATIVES, PHARMACEUTICAL COMPOSITIONS AND USES THEREOF<br/>[FR] NOUVEAUX DÉRIVÉS D'AZÉTIDINE, COMPOSITIONS PHARMACEUTIQUES CORRESPONDANTES ET LEURS UTILISATIONS
  申请人：BOEHRINGER INGELHEIM INT

  公开号：WO2013098375A1

  公开（公告）日：2013-07-04

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

  该发明涉及公式（I）的新的氮杂环丙烷衍生物，其用作药物，其治疗用途的方法以及含有它们的药物组合物。
• [EN] NEW AZIRIDINE COMPOUNDS, PHARMACEUTICAL COMPOSITIONS AND THEIR USE AS ACETYL-COA CARBOXYLASE INHIBITORS<br/>[FR] NOUVEAUX COMPOSÉS AZIRIDINE, COMPOSITIONS PHARMACEUTIQUES ET LEUR UTILISATION EN TANT QU'INHIBITEURS D'ACÉTYL-COA CARBOXYLASE
  申请人：BOEHRINGER INGELHEIM INT

  公开号：WO2013092616A1

  公开（公告）日：2013-06-27

  The invention relates to new azetidine derivatives of the formula (I) wherein Ar1, Ar2, X, R, T and L are as defined in the description, 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）中的新的氮杂环丙烷衍生物，其中Ar1，Ar2，X，R，T和L如描述中所定义，其用作药物，其治疗用途的方法以及含有它们的药物组合物。
• Azetidine Derivatives
  申请人：FLECK Martin

  公开号：US20130158004A1

  公开（公告）日：2013-06-20

  Azetidine derivatives of which the following is exemplary and their use in the treatment of obesity, diabetes or dyslipidemia.

  Azetidine衍生物，以下是示例，用于治疗肥胖症、糖尿病或血脂异常。
• Azetidine derivatives, pharmaceutical compositions and uses thereof
  申请人：Fleck Martin

  公开号：US08623860B2

  公开（公告）日：2014-01-07

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

  本发明涉及式I的新型氮杂四元环衍生物及其用作药物的用途，以及包含它们的制药组合物的治疗用法和方法。
• Azetidine derivatives
  申请人：Fleck Martin

  公开号：US08530460B2

  公开（公告）日：2013-09-10

  Azetidine derivatives of which the following is exemplary and their use in the treatment of obesity, diabetes or dyslipidemia.

  以下是举例的氮杂环丙烷衍生物及其在治疗肥胖症、糖尿病或血脂异常方面的用途。