1,3-dimethyl-5-{3-[2-(4-nitrophenoxy)ethoxy]benzylidene}pyrimidine-2,4,6(1H,3H,5H)-trione

• 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: 1,3-dimethyl-5-{3-[2-(4-nitrophenoxy)ethoxy]benzylidene}pyrimidine-2,4,6(1H,3H,5H)-trione
• 英文别名: 1,3-dimethyl-5-[[3-[2-(4-nitrophenoxy)ethoxy]phenyl]methylidene]-1,3-diazinane-2,4,6-trione
• 化学式: C21H19N3O7
• mdl: MFCD01873423
• 分子量: 425.4
• InChiKey: QJEJLYNTRKALBT-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.8
• 重原子数：
  31
• 可旋转键数：
  6
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.19
• 拓扑面积：
  122
• 氢给体数：
  0
• 氢受体数：
  7

文献信息

• C-REL INHIBITORS AND USES THEREOF
  申请人：CORNELL UNIVERSITY

  公开号：US20150218109A1

  公开（公告）日：2015-08-06

  Compounds having a c-Rel inhibiting property according to the formula: (1) wherein R 1 and R 2 are each independently selected from hydrogen atom and hydrocarbon groups having at least one and up to thirty carbon atoms and optionally substituted with one or more heteroatoms selected from halogen, nitrogen, oxygen, and sulfur; R 3 is selected from hydrocarbon groups having at least one and up to thirty carbon atoms and optionally substituted with one or more heteroatoms selected from halogen, nitrogen, oxygen, and sulfur; and X 1 , X 2 , and X 3 are each independently selected from oxygen and sulfur atoms. Methods for treating diseases and conditions associated with c-Rel overexpression by administering compounds of Formula (1) or a pharmaceutical composition thereof to a subject afflicted with such a disease or condition are also described.

  具有抑制c-Rel性质的化合物按照公式（1）：其中R1和R2各自独立地选择氢原子和至少一个碳原子至三十个碳原子的含有一个或多个杂原子（选自卤素、氮、氧和硫）的烃基，并且可以被一个或多个杂原子（选自卤素、氮、氧和硫）取代；R3选择至少一个碳原子至三十个碳原子的含有一个或多个杂原子（选自卤素、氮、氧和硫）的烃基，并且可以被一个或多个杂原子（选自卤素、氮、氧和硫）取代；X1、X2和X3各自独立地选择氧原子和硫原子。还描述了通过向患有这种疾病或情况的受试者投与公式（1）的化合物或其制剂来治疗与c-Rel过度表达相关的疾病和情况的方法。
• METHODS AND COMPOSITIONS FOR TARGETING C-REL
  申请人：Cornell Research Foundation, Inc.

  公开号：EP2010225A2

  公开（公告）日：2009-01-07
• Methods and Compositions for Targeting c-Rel
  申请人：Liou Hsiou-chi

  公开号：US20100055116A1

  公开（公告）日：2010-03-04

  The present invention relates to compositions and methods for targeting c-Rel. In particular, the present invention provides compositions and methods for treating cancers, inflammatory diseases, autoimmune diseases, and transplant rejection by inhibiting c-Rel activity and for regulating c-Rel for research and drug screening applications.
• US9873674B2
  申请人：——

  公开号：US9873674B2

  公开（公告）日：2018-01-23
• [EN] METHODS AND COMPOSITIONS FOR TARGETING C-REL<br/>[FR] PROCEDES ET COMPOSITIONS DESTINES A CIBLER LE C-REL
  申请人：CORNELL RES FOUNDATION INC

  公开号：WO2007120842A2

  公开（公告）日：2007-10-25

  [EN] The present invention relates to compositions and methods for targeting c-Rel. In particular, the present invention provides compositions and methods for treating cancers, inflammatory diseases, autoimmune diseases, and transplant rejection by inhibiting c-Rel activity and for regulating c-Rel for research and drug screening applications.
  [FR] La présente invention concerne des compositions et des procédés destinés à cibler le c-Rel. L'invention porte en particulier sur des compositions et des procédés permettant de traiter les cancers, les maladies inflammatoires, les maladies auto-immunes et les rejets de greffe en inhibant l'activité c-Rel, et de réguler le c-Rel dans le cadre d'applications de recherche et de criblage de nouveaux médicaments.