4-N,N-bis(2-hydroxyethyl)aminomethyl-6-(3-fluoro-4-methylphenyl)-2-isobutyl-2H-pyridazin-3-one hydrochloride | 503822-72-8

• 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: 4-N,N-bis(2-hydroxyethyl)aminomethyl-6-(3-fluoro-4-methylphenyl)-2-isobutyl-2H-pyridazin-3-one hydrochloride
• 英文别名: 4-[[Bis(2-hydroxyethyl)amino]methyl]-6-(3-fluoro-4-methylphenyl)-2-(2-methylpropyl)pyridazin-3-one;hydrochloride
• CAS: 503822-72-8
• 化学式: C₂₀H₂₈FN₃O₃*ClH
• 分子量: 413.92
• InChiKey: VSEQQMGFDLQHMZ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.22
• 重原子数：
  28
• 可旋转键数：
  9
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.5
• 拓扑面积：
  76.4
• 氢给体数：
  3
• 氢受体数：
  6

文献信息

• WATER-SOLUBLE PHENYLPYRIDAZINE DERIVATIVE AND MEDICINE CONTAINING THE SAME
  申请人：Kowa Co., Ltd.

  公开号：EP1604984A1

  公开（公告）日：2005-12-14

  A phenylpyridazine derivative represented by the formula (1) : Wherein, R1, R2, R3, X, Y, Z and n have the same meaning as defined in the specification; or a salt thereof, or a medicine containing the compound. The present invention provides water-soluble phenylpyridazine derivatives and medicines containing them, which have excellent inhibitory activity against interleukin-β production, high water solubility and high oral absorbability.

  一种由化学式（1）表示的苯基吡啶嗪衍生物：其中，R1、R2、R3、X、Y、Z和n的定义与规范中相同；或其盐，或包含该化合物的药物。本发明提供了具有出色的抑制白细胞介素-β产生活性、高水溶性和高口服吸收性的水溶性苯基吡啶嗪衍生物和含有它们的药物。
• Water-soluble phenylpyridazine compounds and compositions containing the same
  申请人：KOWA CO., LTD.

  公开号：US20030119838A1

  公开（公告）日：2003-06-26

  Compounds having the formula (1): 1 wherein R 1 represents an alkyl or alkenyl group, R 2 and R 3 each independently represent a hydrogen atom or an alkyl, hydroxyalkyl, dihydroxyalkyl or alkynyl group, or R 2 and R 3 may be fused together with the adjacent nitrogen atom to form a substituted or unsubstituted, nitrogen-containing, saturated heterocyclic group, X, Y and Z each independently represent a hydrogen atom, an alkyl group, a halogen atom or the like, and n stands for an integer of from 1 to 5; and also to medicinal compositions containing them. These compounds have inhibitory activity against IL-1&bgr; production, high water solubility and good oral absorbability.

  化合物的分子式为（1）：其中R1代表烷基或烯基基团，R2和R3分别独立地代表氢原子或烷基，羟基烷基，二羟基烷基或炔基基团，或R2和R3可以与相邻的氮原子融合形成取代或未取代的含氮饱和杂环基团，X，Y和Z分别独立地代表氢原子，烷基，卤原子或类似物，n代表1至5的整数; 这些化合物具有抑制IL-1β产生的活性，高水溶性和良好的口服吸收性。同时也包括含有这些化合物的药物组合物。
• Water-soluble phenylpyridazine derivative and medicine containing the same
  申请人：Kyotani Yoshinori

  公开号：US20060142292A1

  公开（公告）日：2006-06-29

  A phenylpyridazine derivative represented by the formula (1): Wherein, R1, R2, R3, X, Y, Z and n have the same meaning as defined in the specification; or a salt thereof, or a medicine containing the compound. The present invention provides water-soluble phenylpyridazine derivatives and medicines containing them, which have excellent inhibitory activity against interleukin-β production, high water solubility and high oral absorbability.

  一种由式（1）表示的苯基吡嗪衍生物：其中，R1、R2、R3、X、Y、Z和n的含义与说明书中定义的相同；或其盐，或含有该化合物的药物。本发明提供了水溶性苯基吡嗪衍生物及含有它们的药物，它们具有优异的抑制白细胞介素-β产生的活性，高水溶性和高口服吸收性。
• WATER-SOLUBLE PHENYLPYRIDAZINE DERIVATIVES AND DRUGS CONTAINING THE SAME
  申请人：Kowa Co., Ltd.

  公开号：EP1431293B1

  公开（公告）日：2011-06-08
• US6861428B2
  申请人：——

  公开号：US6861428B2

  公开（公告）日：2005-03-01