4-Methoxycarbonyl-6-(4-methoxyphenyl)-2-[4-(3-pyridylcarbonylamino)benzyl]-2H-pyridazin-3-one | 243861-80-5

• 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: 4-Methoxycarbonyl-6-(4-methoxyphenyl)-2-[4-(3-pyridylcarbonylamino)benzyl]-2H-pyridazin-3-one
• 英文别名: methyl 6-(4-methoxyphenyl)-3-oxo-2-[[4-(pyridine-3-carbonylamino)phenyl]methyl]pyridazine-4-carboxylate
• CAS: 243861-80-5
• 化学式: C₂₆H₂₂N₄O₅
• 分子量: 470.484
• InChiKey: CBZJCWJKOMESCR-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.7
• 重原子数：
  35
• 可旋转键数：
  8
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.12
• 拓扑面积：
  110
• 氢给体数：
  1
• 氢受体数：
  7

反应信息

• 作为产物：
  描述：

  烟酸 、 盐酸-N-乙基-Nˊ-(3-二甲氨基丙基)碳二亚胺 、 2-(4-aminobenzyl)-4-methoxycarbonyl-6-(4-methoxyphenyl)-2H-pyridazin-3-one 在 氯仿 、 水 、 氯化钠 、 Sodium sulfate-III 、 silica gel 、 chloroform methanol 、 hexane chloroform 作用下， 以 四氢呋喃 为溶剂， 反应 13.08h， 以The title compound (78 mg, 79.7%) was obtained as yellow prisms的产率得到4-Methoxycarbonyl-6-(4-methoxyphenyl)-2-[4-(3-pyridylcarbonylamino)benzyl]-2H-pyridazin-3-one
  参考文献：
  名称：

  Pyridazine derivatives and drugs containing the same as the active ingredient

  摘要：

  本发明涉及由式（1）表示的吡嗪衍生物：其中R1代表低级烷氧基、低级烷硫基或卤素原子；R2代表H、低级烷氧基、低级烷硫基或卤素原子；R3代表低级烷基或低级烯基基团，该基团可以被一个或多个-OH、-CN、低级环烷基团、（取代）芳香基团或（取代）氨基甲酰基团取代；R4代表COOH、低级烷氧羰基基团、（取代）氨基甲酰基团、（取代）氨基基团或（取代）脲基团；虚线表示4位和5位之间的碳-碳键是单键或双键，或其盐；以及包含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，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剂。

  公开号：

  US06403586B1

文献信息

• NOVEL PYRIDAZINE DERIVATIVES AND DRUGS CONTAINING THE SAME AS THE ACTIVE INGREDIENT
  申请人：Kowa Co., Ltd.

  公开号：EP1061077A1

  公开（公告）日：2000-12-20

  This invention relates to pyridazine derivatives represented by the formula (1): wherein R1 represents a lower alkoxyl group, a lower alkylthio group or a halogen atom; R2 represents H, a lower alkoxyl group, a lower alkylthio group or a halogen atom; R3 represents a lower alkyl or lower alkenyl group, which may be substituted by one or more OHs, CNs, lower cycloalkyl groups, (substituted) aromatic groups or (substituted) carbamoyl groups; R4 represents COOH, a lower alkoxycarbonyl group, a (substituted) carbamoyl group, a (substituted) amino group, or a (substituted) ureido group; 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 代表低级烷氧基、低级烷硫基或卤原子；R2 代表 H、低级烷氧基、低级烷硫基或卤原子；R3 代表低级烷基或低级烯基，可被一个或多个 OH、CN、低级环烷基、（取代的）芳香基团或（取代的）氨基甲酰基取代；R4 代表 COOH、低级烷氧羰基、（取代的）氨基甲酰基、（取代的）氨基或 （取代的）脲基；虚线表示 4 位和 5 位之间的碳-碳键为单键或双键，或其盐类；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。
• US6403586B1
  申请人：——

  公开号：US6403586B1

  公开（公告）日：2002-06-11
• Pyridazine derivatives and drugs containing the same as the active ingredient
  申请人：Kowa Co., Ltd.

  公开号：US06403586B1

  公开（公告）日：2002-06-11

  This invention relates to pyridazine derivatives represented by the formula (1): wherein R1 represents a lower alkoxyl group, a lower alkylthio group or a halogen atom; R2 represents H, a lower alkoxyl group, a lower alkylthio group or a halogen atom; R3 represents a lower alkyl or lower alkenyl group, which may be substituted by one or more OHs, CNs, lower cycloalkyl groups, (substituted) aromatic groups or (substituted) carbamoyl groups; R4 represents COOH, a lower alkoxycarbonyl group, a (substituted) carbamoyl group, a (substituted) amino group, or a (substituted) ureido group; 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&bgr; 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代表低级烷氧基、低级烷硫基或卤素原子；R2代表H、低级烷氧基、低级烷硫基或卤素原子；R3代表低级烷基或低级烯基基团，该基团可以被一个或多个-OH、-CN、低级环烷基团、（取代）芳香基团或（取代）氨基甲酰基团取代；R4代表COOH、低级烷氧羰基基团、（取代）氨基甲酰基团、（取代）氨基基团或（取代）脲基团；虚线表示4位和5位之间的碳-碳键是单键或双键，或其盐；以及包含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，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剂。