4-(Aminodiazenyl)-2-[1-(2-ethoxyethyl)-2,6-dioxopiperidin-3-yl]isoindole-1,3-dione

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 异吲哚及其衍生物
• 英文名称: 4-(Aminodiazenyl)-2-[1-(2-ethoxyethyl)-2,6-dioxopiperidin-3-yl]isoindole-1,3-dione
• 英文别名: 4-(aminodiazenyl)-2-[1-(2-ethoxyethyl)-2,6-dioxopiperidin-3-yl]isoindole-1,3-dione
• 化学式: C₁₇H₁₉N₅O₅
• 分子量: 373.4
• InChiKey: FGFHKYMVURGSCI-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.4
• 重原子数：
  27
• 可旋转键数：
  6
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.41
• 拓扑面积：
  135
• 氢给体数：
  1
• 氢受体数：
  8

文献信息

• PIPERIDINE-2, 6-DIONE DERIVATIVES AND THEIR USE AS TUMOR NECROSIS FACTOR INHIBITORS
  申请人：Tianjin Hemay Bio-Tech Co., Ltd.

  公开号：US20140179737A1

  公开（公告）日：2014-06-26

  This invention is directed to derivatives of piperidine-2,6-dione, or their organic or inorganic salts thereof, a methods of synthesis of these derivatives, and their application as active pharmaceutical ingredient as inhibitors of TNFα releasing in cells, the derivative of piperidine-2,6-dione being of the general formula (I): wherein n represents 1, 2, 3, 4, 5 or 6; R 1 represents from one to four of the same or different substituents selected from F, Cl, Br, C 1-4 alkyl, OH, OC 1-4 alkyl, NO 2 , NHC(O)C 1-4 alkyl, NH 2 , NH(C 1-4 alkyl), N(C 1-4 alkyl) 2 ; R 2 represents OR 3 , NR 3 R 4 , N(R 3 )COR 4 , O 2 CR 5 ; R 3 and R 4 represent independently and at each occurrence H or C 1-4 alkyl; R 5 represents CHR 6 NR 7 R 8 , CHR 6 NR 9 C(O)CHR 10 NR 7 R 8 , a heterocycle W or CHR 6 NR 9 C(O)W; R 6 , R 9 , R 10 represent independently and at each occurrence H, or C 1-4 alkyl; R 7 and R 8 represent independently and at each occurrence H, C 1-4 alkyl, or R 7 and R 8 taken together represent 1,3-propylene, 1,4-butylene, 1,5-pentylene, or 1,6-hexylene; W represents four-membered, five-membered, six-membered, seven-membered, or eight-membered saturated or unsaturated heterocycle.

  本发明涉及吡啶二酮衍生物或其有机或无机盐的衍生物，其合成方法，以及作为细胞中TNFα释放抑制剂的活性药物成分的应用，其中吡啶二酮衍生物的一般式为（I）：其中n代表1、2、3、4、5或6；R1代表来自F、Cl、Br、C1-4烷基、OH、OC1-4烷基、NO2、NHC（O）C1-4烷基、NH2、NH（C1-4烷基）、N（C1-4烷基）2的一个到四个相同或不同的取代基；R2代表OR3、NR3R4、N（R3）COR4、O2CR5；R3和R4在每次出现时独立地代表H或C1-4烷基；R5代表CHR6NR7R8、CHR6NR9C（O）CHR10NR7R8、杂环W或CHR6NR9C（O）W；R6、R9和R10在每次出现时独立地代表H或C1-4烷基；R7和R8在每次出现时独立地代表H、C1-4烷基或R7和R8一起代表1,3-丙二烯基、1,4-丁二烯基、1,5-戊二烯基或1,6-己二烯基；W代表四元、五元、六元、七元或八元饱和或不饱和杂环。
• US9085563B2
  申请人：——

  公开号：US9085563B2

  公开（公告）日：2015-07-21