3-[(4Z)-4-[[5-(4,5-dimethyl-2-nitrophenyl)furan-2-yl]methylidene]-3-methyl-5-oxopyrazol-1-yl]benzoic acid | 5838-07-3

• 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: 3-[(4Z)-4-[[5-(4,5-dimethyl-2-nitrophenyl)furan-2-yl]methylidene]-3-methyl-5-oxopyrazol-1-yl]benzoic acid
• CAS: 5838-07-3
• 化学式: C24H19N3O6
• 分子量: 445.4
• InChiKey: JCTVUDASHGXKBS-UNOMPAQXSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.2
• 重原子数：
  33
• 可旋转键数：
  4
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.12
• 拓扑面积：
  129
• 氢给体数：
  1
• 氢受体数：
  7

文献信息

• Methods and Compositions for Modulating P300/CBP Activity
  申请人：Marmorstein Ronen

  公开号：US20100216853A1

  公开（公告）日：2010-08-26

  The present invention relates to a method for identifying compounds that modulate the activity of p300/CBP. Compounds of the invention are identified by designing or screening for a compound which binds to at least one amino acid residue of the newly identified lysine-CoA inhibitor binding site, L1 loop, electronegative pocket, or electronegative groove of the HAT domain of p300/CBP and testing the compound for its ability to modulate the activity of p300/CBP. Compositions and methods for preventing or treating diseases or disorders associated with p300/CBP are also provided as is a method for producing a semi-synthetic HAT domain.

  本发明涉及一种识别调节p300/CBP活性的化合物的方法。该发明的化合物是通过设计或筛选结合至新鉴定的赖氨酸-CoA抑制剂结合位点、L1环、电负性口袋或电负性槽的p300/CBP的HAT结构域的至少一个氨基酸残基的化合物来识别，并测试该化合物调节p300/CBP活性的能力。还提供了用于预防或治疗与p300/CBP相关的疾病或紊乱的组合物和方法，以及一种生产半合成HAT结构域的方法。
• USE OF HISTONE ACETYLTRANSFERASE INHIBITORS AS NOVEL ANTI-CANCER THERAPIES
  申请人：Alani Rhoda Myra

  公开号：US20130142887A1

  公开（公告）日：2013-06-06

  The present invention provides methods for treating cancer comprising inhibiting the activity of p300/CBP histone acetyltransferase (HAT). Also provided are p300/CBP HAT inhibitors for treating a subject having cancer. In addition, the present invention includes biomarkers for p300/CBP HAT inhibition, which are used to i) monitor the effectiveness of cancer therapy, and ii) identify anti-cancer agents for use in combination therapy.

  本发明提供了用于治疗癌症的方法，包括抑制p300/CBP组蛋白乙酰转移酶（HAT）的活性。同时，本发明还提供了用于治疗患有癌症的受试者的p300/CBP HAT抑制剂。此外，本发明包括用于p300/CBP HAT抑制的生物标志物，用于i）监测癌症治疗的有效性，和ii）识别用于联合治疗的抗癌剂。
• US8476458B2
  申请人：——

  公开号：US8476458B2

  公开（公告）日：2013-07-02
• US9005670B2
  申请人：——

  公开号：US9005670B2

  公开（公告）日：2015-04-14
• US9138439B2
  申请人：——

  公开号：US9138439B2

  公开（公告）日：2015-09-22