7-(2-fluorobenzyl)imidazo[1,5-b]pyridazine-5-carbonitrile | 1407814-98-5

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: 7-(2-fluorobenzyl)imidazo[1,5-b]pyridazine-5-carbonitrile
• 英文别名: 7-(2-Fluorobenzyl)imidazo[1,5-b]pyridazine-5-carbonitrile；7-[(2-fluorophenyl)methyl]imidazo[1,5-b]pyridazine-5-carbonitrile
• CAS: 1407814-98-5
• 化学式: C₁₄H₉FN₄
• 分子量: 252.251
• InChiKey: HXKMJDVNMJUXBD-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.5
• 重原子数：
  19
• 可旋转键数：
  2
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.07
• 拓扑面积：
  54
• 氢给体数：
  0
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  7-(2-fluorobenzyl)imidazo[1,5-b]pyridazine-5-carbonitrile 在 氯(甲基)铝酰胺 、 palladium on activated charcoal 、 氢气 、 sodium methylate 作用下， 以 甲醇 、 N,N-二甲基甲酰胺 、 甲苯 为溶剂， 反应 6.0h， 生成 2-[7-(2-fluorobenzyl)imidazo[1,5-b]pyridazin-5-yl]pyrimidine-4,5,6-triamine
  参考文献：
  名称：

  Soluble guanylate cyclase stimulators for the treatment of hypertension: Discovery of MK-2947

  摘要：

  The NO-sGC-cGMP signaling pathway plays an important role in the cardiovascular system. Loss of nitric oxide tone or impaired signaling has been associated with cardiovascular diseases, such as hypertension, pulmonary hypertension and heart failure. Direct activation of sGC enzyme independent of NO represents a novel approach for modulating NO signaling with tremendous therapeutic potential. Herein, we describe the design of a structurally novel class of heme-dependent sGC stimulators containing the 3,3-dimethylpyrrolidin-2-one moiety which resulted in the identification of the potent, selective stimulator 30 (MK-2947) for the treatment of hypertension.

  DOI：

  10.1016/j.bmcl.2020.127574
• 作为产物：
  描述：

  5-氨基酮戊酸甲酯盐酸盐 在 N-溴代丁二酰亚胺(NBS) 、 hydrazine hydrate 、 5%-palladium/activated carbon 、 氢气 、 溴 、 溶剂黄146 、 三乙胺 、 三氯氧磷 作用下， 以 环丁砜 、 乙醇 、 二氯甲烷 、 二甲基亚砜 、 乙酸乙酯 为溶剂， 反应 82.42h， 生成 7-(2-fluorobenzyl)imidazo[1,5-b]pyridazine-5-carbonitrile
  参考文献：
  名称：

  SUBSTITUTED AZABICYCLES AND USE THEREOF

  摘要：

  本申请涉及新型取代的杂环胺，其制备方法，其单独或组合用于治疗和/或预防疾病，以及其用于制备用于治疗和/或预防疾病的药物，特别是用于治疗和/或预防心血管疾病。

  公开号：

  US20150025090A1

文献信息

• PROCESS FOR PREPARATION OF DRONEDARONE BY N-BUTYLATION
  申请人：Friesz Antal

  公开号：US20140114081A1

  公开（公告）日：2014-04-24

  The invention relates to a novel process for preparation of dronedarone (I) and pharmaceutically acceptable salts thereof where the compound of formula (II) or salt thereof is reacted with a compound of formula L-(CH 2 ) 3 —CH 3 (III), where L is a leaving group, and isolating the obtained product and, if desired, converting it into a pharmaceutically acceptable salt thereof. The invention also relates to some novel intermediary compounds and the preparation thereof.

  这项发明涉及一种新型制备多奈达酮（I）及其药用可接受盐的方法，其中式化合物（II）或其盐与式化合物L-(CH2)3—CH3(III)发生反应，其中L是一个离去基团，然后分离得到的产物，并如有需要，将其转化为其药用可接受盐。该发明还涉及一些新型中间体化合物及其制备方法。
• SUBSTITUTED IMIDAZOPYRIDINES AND THE USE THEREOF
  申请人：Follmann Markus

  公开号：US20140113900A1

  公开（公告）日：2014-04-24

  The present application relates to novel substituted imidazopyridazines, to processes for their preparation, to their use, alone or in combinations, for the treatment and/or prophylaxis of diseases and to their use for production of medicaments for the treatment and/or prophylaxis of diseases, especially for the treatment and/or prophylaxis of cardiovascular disorders.

  本申请涉及新型取代咪唑吡啶并嗪化合物，其制备方法，其单独或组合使用用于治疗和/或预防疾病，以及其用于生产用于治疗和/或预防疾病的药物，特别是用于治疗和/或预防心血管疾病。
• SUBSTITUTED IMIDAZOPYRIDINES AND IMIDAZOPYRIDAZINES AND THE USE THEREOF
  申请人：Follmann Markus

  公开号：US20140171434A1

  公开（公告）日：2014-06-19

  The present application relates to novel substituted imidazopyridines and imidazopyridazines, to processes for their preparation, to their use, alone or in combinations, for the treatment and/or prophylaxis of diseases and to their use for the production of medicaments for the treatment and/or prophylaxis of diseases, in particular for the treatment and/or prophylaxis of cardiovascular disorders.

  本申请涉及新颖的取代咪唑吡啶和咪唑吡啉，其制备方法，它们的使用，单独或组合用于治疗和/或预防疾病，以及它们用于生产用于治疗和/或预防疾病的药物，特别是用于治疗和/或预防心血管疾病。
• Substituted imidazopyridines and the use thereof
  申请人：Follmann Markus

  公开号：US09150580B2

  公开（公告）日：2015-10-06

  The present application relates to novel substituted imidazopyridazines having the following formula (I): to processes for their preparation, to their use, alone or in combinations, for the treatment and/or prophylaxis of diseases and to their use for production of medicaments for the treatment and/or prophylaxis of diseases, especially for the treatment and/or prophylaxis of cardiovascular disorders.

  本申请涉及具有以下式子（I）的新型取代咪唑吡啶衍生物，以及它们的制备方法，它们单独或组合的用途，用于治疗和/或预防疾病以及用于制造治疗和/或预防疾病的药物，特别是用于治疗和/或预防心血管疾病。
• Substituted annellated pyrimidines and use thereof
  申请人：Bayer Intellectual Property GmbH

  公开号：US20150105374A1

  公开（公告）日：2015-04-16

  The present application relates to novel substituted annellated pyrimidines, methods for production thereof, use thereof alone or in combinations for treating and/or preventing diseases and use thereof for the production of medicinal products for treating and/or preventing diseases, in particular for treating and/or preventing cardiovascular diseases.

  本申请涉及新的取代的环并嘧啶，其制备方法，其单独或与其他药物联合治疗和/或预防疾病的用途以及用于生产治疗和/或预防疾病的药物制剂的用途，特别是用于治疗和/或预防心血管疾病。