6-chloropyridazine-3-sulfonyl fluoride | 209848-48-6

• 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: 6-chloropyridazine-3-sulfonyl fluoride
• CAS: 209848-48-6
• 化学式: C₄H₂ClFN₂O₂S
• mdl: MFCD09702326
• 分子量: 196.589
• InChiKey: KQCBZJQYJGOUOC-UHFFFAOYSA-N

物化性质

• 沸点：
  341.7±27.0 °C(Predicted)
• 密度：
  1.658±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  0.9
• 重原子数：
  11
• 可旋转键数：
  1
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  68.3
• 氢给体数：
  0
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  6-chloropyridazine-3-sulfonyl fluoride 在 sodium hydride 、 15-冠醚-5 、 manganese(IV) oxide 、 肼 作用下， 以 四氢呋喃 为溶剂， 反应 0.5h， 以24%的产率得到ethyl 1-(pyridazin-3-ylsulfonyl)-5-phenyl-1H-pyrrole-3-carboxylate
  参考文献：
  名称：

  Acid secretion inhibitor

  摘要：

  本发明提供一种具有优越的抑制酸分泌作用并显示抗溃疡活性等的化合物。本发明提供一种由式(I)表示的化合物，其中R1是一种含氮的单环杂环基，可选择地与苯环或杂环缩合，该含氮的单环杂环基可选择地与苯环或杂环缩合，可选择地具有取代基，R2是可选择地取代的C6-14芳基，可选择地取代的噻吩基或可选择地取代的吡啶基，R3和R4分别是氢原子，或者R3和R4中的一个是氢原子，另一个是可选择地取代的较低烷基基团、酰基、卤原子、氰基或硝基，R5是烷基或其盐。

  公开号：

  US20070060623A1
• 作为产物：
  描述：

  3-氯-6-巯基哒嗪 在 potassium hydrogen bifluoride 、 氯 作用下， 以 甲醇 为溶剂， 反应 0.33h， 以34%的产率得到6-chloropyridazine-3-sulfonyl fluoride
  参考文献：
  名称：

  金属化的Ť丁基亚砜，砜和哒嗪和吡嗪磺胺类药物。二嗪的金属化。XX

  摘要：

  在哒嗪系列中，已经测试了使用叔丁基亚磺酰基和叔丁基磺酰基作为金属的邻位导向基团。以高收率获得了各种功能化产品。在3-的情况下，叔丁基亚-6- methoxypyridazine，所述金属化中是区域选择性的邻位的亚磺酰基。2-叔丁基亚磺酰基和2-叔丁基磺酰基吡嗪的金属化得到低至中等的产率。改进了二嗪磺酰胺的合成，并实现了N-叔丁基磺酰胺基吡嗪的金属化。

  DOI：

  10.1002/jhet.5570350228

文献信息

• [EN] PROTON PUMP INHIBITORS<br/>[FR] INHIBITEURS DE POMPE A PROTONS
  申请人：TAKEDA PHARMACEUTICAL

  公开号：WO2006036024A1

  公开（公告）日：2006-04-06

  Proton pump inhibitors which have excellent proton pumping activity and which can be converted in vivo into proton pump inhibitors to exhibit antiulcer effect and so on, containing compounds represented by the general formula (I) or salts thereof or prodrugs of the same: (I) wherein X and Y are each independently a free valency or a spacer whose main chain has 1 to 20 carbon atoms; R1 is an optionally substituted hydrocarbon group or an optionally substituted heterocyclic group; R2, R3 and R4 are each independently hydrogen, an optionally substituted hydrocarbon group, optionally substituted thienyl, optionally substituted benzo[b]thienyl, optionally substituted furyl, optionally substituted pyridyl, optionally substituted pyrazolyl, optionally substituted pyrimidinyl, acyl, halogeno, cyano, or nitro; and R5 and R6 are each independently hydrogen or an optionally substituted hydrocarbon group.

  质子泵抑制剂具有优异的质子泵活性，可以在体内转化为质子泵抑制剂，表现出抗溃疡作用等，包含由通式（I）表示的化合物或其盐或类似物：（I）其中X和Y分别是自由价或其主链具有1至20个碳原子的间隔物；R1是可选择地取代的碳氢基团或可选择地取代的杂环基团；R2、R3和R4分别是氢、可选择地取代的碳氢基团、可选择地取代的噻吩基、可选择地取代的苯并[b]噻吩基、可选择地取代的呋喃基、可选择地取代的吡啶基、可选择地取代的吡唑基、可选择地取代的嘧啶基、酰基、卤素、氰基或硝基；R5和R6分别是氢或可选择地取代的碳氢基团。
• 1-HETEROCYCLYLSULFONYL, 2-AMINOMETHYL, 5- (HETERO-) ARYL SUBSTITUTED 1-H-PYRROLE DERIVATIVES AS ACID SECRETION INHIBITOR
  申请人：Kajino Masahiro

  公开号：US20090275591A1

  公开（公告）日：2009-11-05

  The present invention provides a compound having a superior acid secretion inhibitory effect and showing an antiulcer activity and the like. The present invention provides a compound represented by the formula (I) wherein R 1 is a nitrogen-containing monocyclic heterocyclic group optionally condensed with a benzene ring or a heterocycle, the nitrogen-containing monocyclic heterocyclic group optionally condensed with a benzene ring or a heterocycle optionally has substituent(s), R 2 is an optionally substituted C 6-14 aryl group, an optionally substituted thienyl group or an optionally substituted pyridyl group, R 3 and R 4 are each a hydrogen atom, or one of R 3 and R 4 is a hydrogen atom and the other is an optionally substituted lower alkyl group, an acyl group, a halogen atom, a cyano group or a nitro group, and R 5 is an alkyl group or a salt thereof.

  本发明提供一种具有优异的抑制酸分泌作用并具有抗溃疡活性等的化合物。本发明提供一种由式（I）表示的化合物，其中R1是一种含氮的单环杂环基，可选择与苯环或杂环缩合，该含氮的单环杂环基可选择与苯环或杂环具有取代基，R2是可选择取代的C6-14芳基、可选择取代的噻吩基或可选择取代的吡啶基，R3和R4分别是氢原子，或者R3和R4中的一个是氢原子，另一个是可选择取代的低碳基、酰基、卤素原子、氰基或硝基，R5是烷基或其盐。
• Proton Pump Inhibitors
  申请人：Kajino Masahiro

  公开号：US20080139639A1

  公开（公告）日：2008-06-12

  A proton pump inhibitor containing a compound represented by the formula (I) wherein X and Y are the same or different and each is a bond or a spacer having 1 to 20 carbon atoms in the main chain, R 1 is an optionally substituted hydrocarbon group or an optionally substituted heterocyclic group, R 2 , R 3 and R 4 are the same or different and each is a hydrogen atom, an optionally substituted hydrocarbon group, an optionally substituted thienyl group, an optionally substituted benzo[b]thienyl group, an optionally substituted furyl group, an optionally substituted pyridyl group, an optionally substituted pyrazolyl group, an optionally substituted pyrimidinyl group, an acyl group, a halogen atom, a cyano group or a nitro group, R 5 and R 6 are the same or different and each is a hydrogen atom or an optionally substituted hydrocarbon group, which has a superior proton pump action and shows an antiulcer activity and the like after conversion to a proton pump inhibitor in the body, or a salt thereof. or a prodrug thereof is provided.

  提供一种质子泵抑制剂，其中包含公式（I）所代表的化合物，其中X和Y相同或不同，每个都是具有1到20个碳原子的主链中的键或间隔物，R1是可选取代的碳氢化合物基团或可选取代的杂环基团，R2、R3和R4相同或不同，每个都是氢原子、可选取代的碳氢化合物基团、可选取代的噻吩基团、可选取代的苯并[b]噻吩基团、可选取代的呋喃基团、可选取代的吡啶基团、可选取代的吡唑基团、可选取代的嘧啶基团、酰基、卤素原子、氰基或硝基，R5和R6相同或不同，每个都是氢原子或可选取代的碳氢化合物基团。该化合物在体内转化为质子泵抑制剂后具有卓越的质子泵作用，并显示抗溃疡活性等，或其盐或前药。
• 1-HETEROCYCLYLSULFONYL, 2-AMINOMETHYL, 5- (HETERO-) ARYL SUBSTITUTED 1-H-PYRROLE DERIVATIVES AS ACID SECRETION INHIBITORS
  申请人：Kajino Masahiro

  公开号：US20110144161A1

  公开（公告）日：2011-06-16

  The present invention provides a compound having a superior acid secretion inhibitory effect and showing an antiulcer activity and the like. The present invention provides a compound represented by the formula (I) wherein R 1 is a nitrogen-containing monocyclic heterocyclic group optionally condensed with a benzene ring or a heterocycle, the nitrogen-containing monocyclic heterocyclic group optionally condensed with a benzene ring or a heterocycle optionally has substituent(s), R 2 is an optionally substituted C 6-14 aryl group, an optionally substituted thienyl group or an optionally substituted pyridyl group, R 3 and R 4 are each a hydrogen atom, or one of R 3 and R 4 is a hydrogen atom and the other is an optionally substituted lower alkyl group, an acyl group, a halogen atom, a cyano group or a nitro group, and R 5 is an alkyl group or a salt thereof.

  本发明提供了一种具有优越的酸分泌抑制作用和抗溃疡活性等的化合物。本发明提供了一种由式（I）表示的化合物，其中R1是一种氮含杂环单环芳基，可选地与苯环或杂环缩合，所述氮含杂环单环芳基可选地具有取代基，R2是一种可选地取代的C6-14芳基、可选地取代的噻吩基或可选地取代的吡啶基，R3和R4各自是氢原子，或者R3和R4中的一个是氢原子，另一个是可选的取代较低烷基、酰基、卤素原子、氰基或硝基，R5是一种烷基或其盐。
• 1-heterocyclylsulfonyl, 2-aminomethyl, 5-(hetero-) aryl substituted 1-H-pyrrole derivatives as acid secretion inhibitors
  申请人：Takeda Pharmaceutical Company Limited

  公开号：US07977488B2

  公开（公告）日：2011-07-12

  The present invention provides a compound having a superior acid secretion inhibitory effect and showing an antiulcer activity and the like. The present invention provides a compound represented by the formula (I) wherein R1 is a nitrogen-containing monocyclic heterocyclic group optionally condensed with a benzene ring or a heterocycle, the nitrogen-containing monocyclic heterocyclic group optionally condensed with a benzene ring or a heterocycle optionally has substituent(s), R2 is an optionally substituted C6-14 aryl group, an optionally substituted thienyl group or an optionally substituted pyridyl group, R3 and R4 are each a hydrogen atom, or one of R3 and R4 is a hydrogen atom and the other is an optionally substituted lower alkyl group, an acyl group, a halogen atom, a cyano group or a nitro group, and R5 is an alkyl group or a salt thereof.

  本发明提供了一种具有卓越的酸分泌抑制作用并表现出抗溃疡活性等的化合物。本发明提供了一种由式(I)表示的化合物，其中R1是一种含氮的单环杂环基，可选地与苯环或杂环缩合，该含氮的单环杂环基可选地具有取代基，R2是可选地取代的C6-14芳基，可选地取代的噻吩基或可选地取代的吡啶基，R3和R4各自是氢原子，或者R3和R4中的一个是氢原子，另一个是可选地取代的较低烷基，酰基，卤原子，氰基或硝基，R5是烷基或其盐。