5-(4-chlorophenyl)-6-[4-(methylthio)phenyl]-2H-pyridazin-3-one | 225666-40-0

• 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: 5-(4-chlorophenyl)-6-[4-(methylthio)phenyl]-2H-pyridazin-3-one
• 英文别名: 6-[4-(methylthio)phenyl]-5-phenyl-2H-pyridazin-3-one；3-(4-methylsulfanylphenyl)-4-phenyl-1H-pyridazin-6-one
• CAS: 225666-40-0
• 化学式: C₁₇H₁₄N₂OS
• 分子量: 294.377
• InChiKey: PRIUHAZAYOPFDP-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.4
• 重原子数：
  21
• 可旋转键数：
  3
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.06
• 拓扑面积：
  66.8
• 氢给体数：
  1
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  5-(4-chlorophenyl)-6-[4-(methylthio)phenyl]-2H-pyridazin-3-one 反应 2.0h， 以100%的产率得到6-chloro-3-[4-(methylthio)phenyl]-4-phenylpyridazine
  参考文献：
  名称：

  Phenylpyridazine compounds and medicines containing the same

  摘要：

  以下公式（I）所代表的苯基吡啶化合物提供，其中R1、R2、R3、R4和n如本文所定义，具有出色的抑制性活性，可用于治疗或预防由白细胞介素-1β产生刺激引起的疾病，如免疫系统疾病、炎症性疾病和缺血性疾病。

  公开号：

  US06664256B1
• 作为产物：
  描述：

  4,5-dihydro-5-phenyl-6-[4-(methylthio)phenyl]-2H-pyridazin-3-one 以95.7%的产率得到5-(4-chlorophenyl)-6-[4-(methylthio)phenyl]-2H-pyridazin-3-one
  参考文献：
  名称：

  Pyridazine compounds and compositions containing the same

  摘要：

  这项发明涉及由式（1）表示的吡啶嗪衍生物： 其中R1代表（取代的）芳基，R2代表在4位被低烷氧基或低烷硫基取代的苯基，R3代表低烷氧基、卤代低烷基、低环烷基、（取代的）芳基、（取代的）芳氧基、（取代的）含氮杂环环残基、（取代的）氨基羰基或低烷基羰基，A代表单键、低烷基烯基或低烷烯基，X代表O或S，虚线表示4位和5位之间的碳-碳键为单键或双键，或其盐；以及含有它们作为有效成分的药物。这些化合物对白细胞介素-1β的产生具有出色的抑制活性，并可用作免疫系统疾病、炎症性疾病、缺血性疾病等的预防和治疗药物。

  公开号：

  US06348468B1

文献信息

• Novel pyridazine derivatives and medicines containing the same as effective ingredients
  申请人：Ohkuchi Masao

  公开号：US20050267113A1

  公开（公告）日：2005-12-01

  This invention relates to pyridazine derivatives represented by the formula (1): wherein R 1 represents a (substituted) aryl group, R 2 represents a phenyl group substituted at 4 -position by a lower alkoxyl group or a lower alkylthio group, R 3 represents a lower alkoxyl group, a halogenated lower alkyl group, a lower cycloalkyl group, a (subsituted) aryl group, a (substituted) aryloxy group, a (substituted) nitrogen-containing heterocyclic ring residue, a (substituted) aminocarbonyl group or a lower alkylcarbonyl group, A represents a single bond, a lower alkylene group or a lower alkenylene group, X represents O or S, and the dashed line indicates that the carbon-carbon bond between the 4 -position and the 5 -position is a single bond or a double bond, or salts thereof; and also to medicines containing them as effective ingredients. These compounds have excellent inhibitory activity against interleukin- 1 β production, and are useful as preventives and therapeutics for immmune system diseases, inflammatory diseases, ischemic diseases and the like.

  本发明涉及由式（1）表示的吡嗪衍生物：其中R1表示（取代）芳基基团，R2表示在4-位被低烷氧基基团或低烷硫基基团取代的苯基基团，R3表示低烷氧基基团、卤代低烷基基团、低环烷基基团、（取代）芳基基团、（取代）芳氧基基团、（取代）含氮杂环环残基、（取代）氨基甲酰基或低烷基甲酰基，A表示单键、低烷基亚ethylene基或低烷基亚烯基，X表示O或S，虚线表示4-位和5-位之间的碳-碳键为单键或双键，或其盐；以及包含它们作为有效成分的药物。这些化合物对白细胞介素-1β的产生有出色的抑制活性，并且可用作免疫系统疾病、炎症性疾病、缺血性疾病等的预防和治疗。
• NOVEL PYRIDAZINE DERIVATIVES AND MEDICINES CONTAINING THE SAME AS EFFECTIVE INGREDIENTS
  申请人：OHKUCHI Masao

  公开号：US20090270399A1

  公开（公告）日：2009-10-29

  This invention relates to pyridazine derivatives represented by the formula (1): wherein R 1 represents a (substituted) aryl group, R 2 represents a phenyl group substituted at 4-position by a lower alkoxyl, group or a lower alkylthio group, R 3 represents a lower alkoxyl group, a halogenated lower alkyl group, a lower cycloalkyl group, a (substituted) aryl group, a (substituted) aryloxy group, a (substituted) nitrogen-containing heterocyclic ring residue, a (substituted) aminocarbonyl group or a lower alkylcarbonyl group, A represents a single bond, a lower alkylene group or a lower alkenylene group, X represents O or S, and the dashed line indicates that the carbon-carbon bond between the 4-position and the 5-position is a single bond or a double bond, or salts thereof; and also to medicines containing them as effective ingredients. These compounds have excellent inhibitory activity against interleukin-1β production, and are useful as preventives and therapeutics for immune system diseases, inflammatory diseases, ischemic diseases and the like.

  本发明涉及由式（1）表示的吡嗪衍生物： 其中R1表示（取代的）芳基基团，R2表示在4位被低烷氧基团或低烷硫基团取代的苯基基团，R3表示低烷氧基团、卤代的低烷基团、低环烷基团、（取代的）芳基基团、（取代的）芳氧基基团、（取代的）含氮杂环环残基、（取代的）氨基甲酰基团或低烷基甲酰基团，A表示单键、低烷基烷基或低烯基烷基，X表示O或S，虚线表示4位和5位之间的碳-碳键为单键或双键，或其盐；以及含有它们作为有效成分的药物。这些化合物具有优异的抑制白细胞介素-1β产生的活性，可用作预防和治疗免疫系统疾病、炎症性疾病、缺血性疾病等。
• NOVEL PYRIDAZINE DERIVATIVES AND DRUGS CONTAINING THE SAME AS THE ACTIVE INGREDIENT
  申请人：Kowa Co., Ltd.

  公开号：EP1043317A1

  公开（公告）日：2000-10-11

  This invention relates to pyridazine derivatives represented by the formula (1): wherein R1 represents a (substituted) aryl group, R2 represents a phenyl group substituted at 4-position by a lower alkoxyl group or a lower alkylthio group, R3 represents a lower alkoxyl group, a halogenated lower alkyl group, a lower cycloalkyl group, a (subsituted) aryl group, a (substituted) aryloxy group, a (substituted) nitrogen-containing heterocyclic ring residue, a (substituted) aminocarbonyl group or a lower alkylcarbonyl group, A represents a single bond, a lower alkylene group or a lower alkenylene group, X represents O or S, and the dashed line indicates that the carbon-carbon bond between the 4-position and the 5-position is a single bond or a double bond, or salts thereof; and also to medicines containing them as effective ingredients. These compounds have excellent inhibitory activity against interleukin-1β production, and are useful as preventives and therapeutics for immune system diseases, inflammatory diseases, ischemic diseases and the like.

  本发明涉及式（1）所代表的哒嗪衍生物： 其中 R1 代表（取代的）芳基，R2 代表在 4 位被低级烷氧基或低级烷硫基取代的苯基，R3 代表低级烷氧基、卤代低级烷基、低级环烷基、（取代的）芳基、（取代的）芳氧基、（取代的）含氮杂环残基、一个（取代的）氨基羰基或一个低级烷基羰基，A 代表单键、一个低级亚烷基或一个低级亚烯基，X 代表 O 或 S，虚线表示 4 位和 5 位之间的碳-碳键是单键或双键，或其盐；以及含有这些化合物作为有效成分的药物。这些化合物对白细胞介素-1β的产生具有良好的抑制活性，可作为免疫系统疾病、炎症性疾病、缺血性疾病等的预防和治疗药物。
• Pyridazine derivatives and medicines containing the same as effective ingredients
  申请人：Kowa Co., Ltd.

  公开号：EP2017266A1

  公开（公告）日：2009-01-21

  A pyridazine derivative represented by the following formula (1): wherein R1 represents a phenyl or pyridyl group which may be substituted by 1 to 3 substituents selected from a halogen atom and a C1-6 alkoxyl group, R2 represents a phenyl group substituted at least at 4-position by a C1-6 alkoxyl group, C1-6 alkylthio group, a C1-6 alkylsulfinyl group, or a C1-6 alkylsulfonyl group, and optionally has one or more substituents at the other position by 1 or 2 substituents selected from a halogen atom, a C1-6alkoxyl group, C1-6 alkylthio group, a C1-6 alkylsulfinyl group, or a C1-6 alkylsulfonyl group, R3 represents a C1-6 alkoxyl group, a fluorinated C1-6 alkyl group, C1-6 alkyl group or a C3-8 cycloalkyl group, A represents a single bond or linear or branched C1-6 alkylene group or C2-9 alkenylene group, X represents an oxygen atom or a sulfur atom; or a salt thereof.

  下式(1)所代表的哒嗪衍生物： 其中 R1 代表苯基或吡啶基，可被 1 至 3 个选自卤素原子和 C1-6 烷氧基的取代基取代、 R2 代表至少在 4 位被 C1-6 烷氧基、C1-6 烷硫基、C1-6 烷基亚磺酰基或 C1-6 烷基磺酰基取代的苯基，并可选择在另一位置被 1 或 2 个选自卤素原子、C1-6 烷氧基、C1-6 烷硫基、C1-6 烷基亚磺酰基或 C1-6 烷基磺酰基的取代基取代、 R3 代表 C1-6 烷氧基、氟化 C1-6 烷基、C1-6 烷基或 C3-8 环烷基、 A 代表单键或直链或支链 C1-6 烯基或 C2-9 烯基、 X 代表氧原子或硫原子； 或其盐。
• PHENYLPYRIDAZINE DERIVATIVES AND DRUGS CONTAINING THE SAME
  申请人：Kowa Co., Ltd.

  公开号：EP1300399B1

  公开（公告）日：2007-08-22