2-{[3-cyano-6-oxo-4-(3,4,5-trimethoxyphenyl)-1,4,5,6-tetrahydropyridin-2-yl]sulfanyl}-N-(2,4,6-trimethylphenyl)acetamide

• 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: 2-{[3-cyano-6-oxo-4-(3,4,5-trimethoxyphenyl)-1,4,5,6-tetrahydropyridin-2-yl]sulfanyl}-N-(2,4,6-trimethylphenyl)acetamide
• 英文别名: 2-[[5-cyano-2-oxo-4-(3,4,5-trimethoxyphenyl)-3,4-dihydro-1H-pyridin-6-yl]sulfanyl]-N-(2,4,6-trimethylphenyl)acetamide
• 化学式: C₂₆H₂₉N₃O₅S
• 分子量: 495.6
• InChiKey: NAUVZUQQDJNWNY-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.5
• 重原子数：
  35
• 可旋转键数：
  8
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.35
• 拓扑面积：
  135
• 氢给体数：
  2
• 氢受体数：
  7

文献信息

• SMALL MOLECULE INHIBITORS OF NECROPTOSIS
  申请人：Yuan Junying

  公开号：US20120122889A1

  公开（公告）日：2012-05-17

  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.
• 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.