6-(5-Methylthiophen-2-yl)-2,3-dihydropyridazin-3-one | 1105194-38-4

• 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: 6-(5-Methylthiophen-2-yl)-2,3-dihydropyridazin-3-one
• 英文别名: 3-(5-methylthiophen-2-yl)-1H-pyridazin-6-one
• CAS: 1105194-38-4
• 化学式: C₉H₈N₂OS
• mdl: MFCD12143101
• 分子量: 192.24
• InChiKey: JEHQIYNKISJEHE-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.7
• 重原子数：
  13
• 可旋转键数：
  1
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.111
• 拓扑面积：
  69.7
• 氢给体数：
  1
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  6-(5-Methylthiophen-2-yl)-2,3-dihydropyridazin-3-one 在 氯磺酸 、 ammonium hydroxide 、 potassium carbonate 作用下， 以 N,N-二甲基甲酰胺 、 乙腈 为溶剂， 反应 26.0h， 生成 2-methyl-5-(1-methyl-6-oxo-1,6-dihydropyridazin-3-yl)thiophene-3-sulfonamide
  参考文献：
  名称：

  哒嗪酮取代的苯磺酰胺可抑制单胺氧化酶

  摘要：

  背景：单胺氧化酶（MAO）是重要的药物靶点。 MAO-A 和 MAO-B 抑制剂已用于治疗抑郁症和帕金森病的症状。方法：合成了一系列 17 种哒嗪酮取代的苯磺酰胺，并评估其作为人 MAO-A 和 MAO-B 的潜在抑制剂。这项研究是我们对磺酰胺化合物药理活性兴趣的延续。结果：在评估的化合物中，只有 10 和 18 种表现出明显的 MAOB 抑制作用，IC50 值分别为 2.90 和 4.36 μM。苯磺酰胺类药物均不抑制 MAO-A 亚型。通过计算方法研究了 10 和 18 与 MAO-B 活性位点的潜在结合方向和相互作用。结论：虽然这些效力不大，但本研究是此类化合物抑制 MAO 的第一份报告。活性 MAO-B 抑制剂可能成为未来发现帕金森病等神经退行性疾病治疗药物的先导。

  DOI：

  10.2174/1570180820666230321090227
• 作为产物：
  描述：

  2-乙酰-5-甲基噻吩 、 乙醛酸 在 一水合肼 作用下， 以 溶剂黄146 为溶剂， 以21 %的产率得到6-(5-Methylthiophen-2-yl)-2,3-dihydropyridazin-3-one
  参考文献：
  名称：

  哒嗪酮取代的苯磺酰胺可抑制单胺氧化酶

  摘要：

  背景：单胺氧化酶（MAO）是重要的药物靶点。 MAO-A 和 MAO-B 抑制剂已用于治疗抑郁症和帕金森病的症状。方法：合成了一系列 17 种哒嗪酮取代的苯磺酰胺，并评估其作为人 MAO-A 和 MAO-B 的潜在抑制剂。这项研究是我们对磺酰胺化合物药理活性兴趣的延续。结果：在评估的化合物中，只有 10 和 18 种表现出明显的 MAOB 抑制作用，IC50 值分别为 2.90 和 4.36 μM。苯磺酰胺类药物均不抑制 MAO-A 亚型。通过计算方法研究了 10 和 18 与 MAO-B 活性位点的潜在结合方向和相互作用。结论：虽然这些效力不大，但本研究是此类化合物抑制 MAO 的第一份报告。活性 MAO-B 抑制剂可能成为未来发现帕金森病等神经退行性疾病治疗药物的先导。

  DOI：

  10.2174/1570180820666230321090227

文献信息

• Plasmodial surface anion channel inhibitors for the treatment or prevention of malaria
  申请人：The United States of America, as represented by the Secretary, Department of Health and Human Services

  公开号：US10869865B2

  公开（公告）日：2020-12-22

  The invention provides methods of treating or preventing malaria comprising administering to an animal an effective amount of a compound of formula I: Q-Y—R1—R2  (I), wherein Q, Y, R1, and R2 are as described herein. Methods of inhibiting a plasmodial surface anion channel of a parasite in an animal are also provided. The invention also provides pharmaceutical compositions comprising a compound represented by formula I in combination with any one or more compounds represented by formulas II, V, and VI. Use of the pharmaceutical compositions for treating or preventing malaria or for inhibiting a plasmodial surface anion channel in animals including humans are also provided. Also provided by the invention are clag3 amino acid sequences and related nucleic acids, vectors, host cells, populations of cells, antibodies, and pharmaceutical compositions.

  本发明提供了治疗或预防疟疾的方法，包括向动物施用有效量的式 I 化合物： Q-Y-R1-R2 (I)、 其中Q、Y、R1和R2如本文所述。本发明还提供了抑制动物体内寄生虫的质体表面阴离子通道的方法。本发明还提供了药物组合物，其包含式 I 所代表的化合物与式 II、V 和 VI 所代表的任意一种或多种化合物的组合。本发明还提供了药物组合物用于治疗或预防疟疾或抑制包括人类在内的动物的质体表面阴离子通道的用途。本发明还提供了 clag3 氨基酸序列和相关核酸、载体、宿主细胞、细胞群、抗体和药物组合物。
• PLASMODIAL SURFACE ANION CHANNEL INHIBITORS FOR THE TREATMENT OR PREVENTION OF MALARIA
  申请人：The United States of America, as represented by the Secretary, Department of Health and Human Services

  公开号：US20140079736A1

  公开（公告）日：2014-03-20

  The invention provides methods of treating or preventing malaria comprising administering to an animal an effective amount of a compound of formula (I): Q-Y—R 1 —R2 (I), wherein Q, Y, R 1 , and R 2 are as described herein. Methods of inhibiting a plasmodial surface anion channel of a parasite in an animal are also provided. The invention also provides pharmaceutical compositions comprising a compound represented by formula (I) in combination with any one or more compounds represented by formulas II, V, and VI. Use of the pharmaceutical compositions for treating or preventing malaria or for inhibiting a plasmodial surface anion channel in animals including humans are also provided. Also provided by the invention are clag3 amino acid sequences and related nucleic acids, vectors, host cells, populations of cells, antibodies, and pharmaceutical compositions.
• US9320786B2
  申请人：——

  公开号：US9320786B2

  公开（公告）日：2016-04-26
• US9808458B2
  申请人：——

  公开号：US9808458B2

  公开（公告）日：2017-11-07
• [EN] PLASMODIAL SURFACE ANION CHANNEL INHIBITORS FOR THE TREATMENT OR PREVENTION OF MALARIA<br/>[FR] INHIBITEURS DU CANAL ANIONIQUE DE SURFACE DE PLASMODIUM POUR LE TRAITEMENT OU LA PRÉVENTION DE LA MALARIA
  申请人：US HEALTH

  公开号：WO2012142125A2

  公开（公告）日：2012-10-18

  The invention provides methods of treating or preventing malaria comprising administering to an animal an effective amount of acompound of formula (I): Q-Y-R1-R2 (I), wherein Q, Y, R1, and R2 are as described herein. Methods of inhibiting a plasmodial surface anion channel of a parasite in an animal are also provided. The invention also provides pharmaceutical compositions comprising a compound represented by formula (I) in combination with any one or more compounds represented by formulas II, V, and VI. Use of the pharmaceutical compositions for treating or preventing malaria or for inhibiting a plasmodial surface anion channel in animals including humans are also provided. Also provided by the invention are clag3 amino acid sequences and related nucleic acids, vectors, host cells, populations of cells, antibodies, and pharmaceutical compositions.