3-氯-6-丙基氧基哒嗪 | 5788-60-3

• 物质功能分类: 医药中间体 - 杂环化合物 - 哒嗪类化合物
• 分子结构分类: 有机化合物 - 有机氧化合物
• 中文名称: 3-氯-6-丙基氧基哒嗪
• 英文名称: 3-chloro-6-(propyloxy)pyridazine
• 英文别名: 3-chloro-6-propoxy-pyridazine；3-Chlor-6-propoxy-pyridazin；3-(n-propoxy)-6-chloropyridazine；6-Chlor-3-propyloxy-pyridazin；6-Propyloxy-3-chlor-pyridazin；3-Propoxy-6-chlor-pyridazin；3-Chloro-6-propoxypyridazine
• CAS: 5788-60-3
• 化学式: C₇H₉ClN₂O
• 分子量: 172.614
• InChiKey: HXOUDDFFQRLOMP-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.8
• 重原子数：
  11
• 可旋转键数：
  3
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.43
• 拓扑面积：
  35
• 氢给体数：
  0
• 氢受体数：
  3

安全信息

• 危险性防范说明：
  P280,P305+P351+P338
• 危险性描述：
  H302

反应信息

• 作为反应物：
  描述：

  3-氯-6-丙基氧基哒嗪 在 palladium on activated charcoal 氢气 、 potassium carbonate 、 potassium hydrogencarbonate 、 hydroxylamine-O-sulfonic acid 作用下， 以 甲醇 、 乙二醇甲醚 、 N,N-二甲基甲酰胺 为溶剂， 20.0~90.0 ℃ 、344.74 kPa 条件下， 生成 Pyrazolo[1,5-b]pyridazine deriv. 41
  参考文献：
  名称：

  N-Phenyl-4-pyrazolo[1,5-b]pyridazin-3-ylpyrimidin-2-amines as Potent and Selective Inhibitors of Glycogen Synthase Kinase 3 with Good Cellular Efficacy

  摘要：

  Glycogen synthase kinase 3 regulates glycogen synthase, the rate-determining enzyme for glycogen synthesis. Liver and muscle glycogen synthesis is defective in type 2 diabetics, resulting in elevated plasma glucose levels. Inhibition of GSK-3 could potentially be an effective method to control plasma glucose levels in type 2 diabetics. Structure-activity studies on a N-phenyl-4-pyrazolo[1,5-b]pyridazin-3-ylpyrimidin-2-amine series have led to the identification of potent and selective compounds with good cellular efficacy. Molecular modeling studies have given insights into the mode of binding of these inhibitors. Since the initial leads were also potent inhibitors of CDK-2/CDK-4, an extensive SAR was performed at various positions of the pyrazolo[1,5-b]pyridazin core to afford potent GSK-3 inhibitors that were highly selective over CDK-2. In addition, these inhibitors also exhibited very good cell efficacy and functional response. A representative example was shown to have good oral exposure levels, extending their utility in an in vivo setting. These inhibitors provide a viable lead series in the discovery of new therapies for the treatment of type 2 diabetes.

  DOI：

  10.1021/jm040063i
• 作为产物：
  描述：

  丙醇 、 3,6-二氯哒嗪 在 sodium hydroxide 作用下， 以 甲醇 为溶剂， 生成 3-氯-6-丙基氧基哒嗪
  参考文献：
  名称：

  保留烷基磺酰基的氯哒嗪衍生物的合成及抗增殖活性

  摘要：

  DOI：

  10.1002/bkcs.10967

文献信息

• Allylthiopyridazine derivatives and process for preparing the same
  申请人：Kwon; Soon Kyoung

  公开号：US05942511A1

  公开（公告）日：1999-08-24

  The, present invention relates to a novel allylthiopyridazine derivative represented by formula (I) which exhibits a superior effect for prevention and treatment or hepatic diseases induced by toxic substances and for protection of human tissues from radiation: ##STR1## or a pharmaceutically acceptable salt thereof, in which R.sub.1 represents halogen atom, lower alkoxy, dialkylaminoalkoxy, hydroxyalkoxy, phenoxy substituted or unsubstituted with lower alkyl, benzyloxy, or phenyl, and R.sub.2 and R.sub.3 independently of one another represent hydrogen or lower alkyl, or R.sub.2 and R.sub.3 together with carbon atom to which they are attached can form a saturated or unsaturated 6-membered ring, provided that R.sub.2 and R.sub.3 are other than hydrogen when R.sub.1 is chloro; and to a process for preparing thereof and a pharmaceutical composition containing the same as an effective component.

  本发明涉及一种新型的烯丙基噻吡嗪衍生物，其化学式表示为（I），该化合物对预防和治疗由有毒物质诱导的肝脏疾病以及保护人体组织免受辐射的作用优越：##STR1##或其药用盐，其中R.sub.1代表卤原子，较低的烷氧基，二烷基氨氧基烷基，羟基烷氧基，苯氧基，取代或未取代较低烷基，苄氧基或苯基的苯氧基，而R.sub.2和R.sub.3彼此独立地表示氢或较低烷基，或R.sub.2和R.sub.3与它们连接的碳原子一起可以形成饱和或不饱和的6元环，前提是当R.sub.1为氯时，R.sub.2和R.sub.3不是氢；以及制备该化合物的方法和含有其作为有效成分的药物组合物。
• NOVEL ALLYLTHIOPYRIDAZINE DERIVATIVES AND PROCESS FOR PREPARING THE SAME
  申请人：Seoul Pharm. Co., Ltd.

  公开号：EP1058681B1

  公开（公告）日：2003-05-07
• WOLINSKI J.; ILCZUK A., ACTA POL. PHARM. <APPH-AX>, 1975, 32, NO 3, 307-310
  作者：WOLINSKI J.、 ILCZUK A.

  DOI：——

  日期：——
• WOLINSKI J.; ILCZUK A., ACTA POL. PHARM. <APPH-AX>, 1976, 33, NO 2, 141-143
  作者：WOLINSKI J.、 ILCZUK A.

  DOI：——

  日期：——
• US5942511A
  申请人：——

  公开号：US5942511A

  公开（公告）日：1999-08-24