2-{[3-cyano-6-hydroxy-4-(2-methoxyphenyl)-4,5-dihydropyridin-2-yl]sulfanyl}-N-(1,3-thiazol-2-yl)acetamide

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯酚醚
• 英文名称: 2-{[3-cyano-6-hydroxy-4-(2-methoxyphenyl)-4,5-dihydropyridin-2-yl]sulfanyl}-N-(1,3-thiazol-2-yl)acetamide
• 英文别名: 2-[[5-cyano-4-(2-methoxyphenyl)-2-oxo-3,4-dihydro-1H-pyridin-6-yl]sulfanyl]-N-(1,3-thiazol-2-yl)acetamide
• 化学式: C₁₈H₁₆N₄O₃S₂
• 分子量: 400.5
• InChiKey: QCIAIXJTTFYLAU-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.8
• 重原子数：
  27
• 可旋转键数：
  6
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.22
• 拓扑面积：
  158
• 氢给体数：
  2
• 氢受体数：
  7

文献信息

• SMALL MOLECULE INHIBITORS OF NECROPTOSIS
  申请人：President and Fellows of Harvard College

  公开号：EP3000468A1

  公开（公告）日：2016-03-30

  The invention features a series of heterocyclic derivatives that inhibit tumor necrosis factor alpha (TNF-α) induced necroptosis. The heterocyclic compounds of the invention are described by Formulas (I)-(VIII) and by Compounds (I)-(I), (13)-(26), (27)-(33), (48)-(57), and (58)-(70). These necrostatins are shown to inhibit TNF-α induced necroptosis in FADD-deficient variant of human Jurkat T cells. The invention further features pharmaceutical compositions featuring necrostatins. The compounds and compositions of the invention may also be used to treat disorders where necroptosis is likely to play a substantial role.

  本发明具有一系列抑制肿瘤坏死因子α（TNF-α）诱导坏死的杂环衍生物。本发明的杂环化合物由式(I)-(VIII)和化合物(I)-(I)、(13)-(26)、(27)-(33)、(48)-(57)和(58)-(70)描述。这些坏死素能抑制 FADD 缺陷变体人 Jurkat T 细胞中 TNF-α 诱导的坏死。本发明还具有以坏死素为特征的药物组合物。本发明的化合物和组合物还可用于治疗坏死蛋白可能起重要作用的疾病。
• US9586880B2
  申请人：——

  公开号：US9586880B2

  公开（公告）日：2017-03-07
• [EN] SMALL MOLECULE INHIBITORS OF NECROPTOSIS<br/>[FR] INHIBITEURS DE LA NÉCROPTOSE DE PETITE TAILLE MOLÉCULAIRE
  申请人：HARVARD COLLEGE

  公开号：WO2010075561A1

  公开（公告）日：2010-07-01

  The invention features a series of heterocyclic derivatives that inhibit tumor necrosis factor alpha (TNF-α) induced necroptosis. The heterocyclic compounds of the invention are described by Formulas (I)-(VIII) and by Compounds (I)-(I), (13)-(26), (27)-(33), (48)-(57), and (58)-(70). These necrostatins are shown to inhibit TNF-α induced necroptosis in FADD- deficient variant of human Jurkat T cells. The invention further features pharmaceutical compositions featuring necrostatins. The compounds and compositions of the invention may also be used to treat disorders where necroptosis is likely to play a substantial role.