4-(3-methyl-5-oxo-4H-pyrazol-1-yl)benzamide | 40948-51-4

• 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: 4-(3-methyl-5-oxo-4H-pyrazol-1-yl)benzamide
• CAS: 40948-51-4
• 化学式: C₁₁H₁₁N₃O₂
• 分子量: 217.227
• InChiKey: HZDVOQZPVUFQOC-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.1
• 重原子数：
  16
• 可旋转键数：
  2
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.18
• 拓扑面积：
  75.8
• 氢给体数：
  1
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  5-(4,5-二甲基-2-硝基-苯基)-呋喃-2-甲醛 、 4-(3-methyl-5-oxo-4H-pyrazol-1-yl)benzamide 在 二乙胺 作用下， 以 乙醇 为溶剂， 生成 4-[4-[[5-(4,5-dimethyl-2-nitrophenyl)furan-2-yl]methylidene]-3-methyl-5-oxopyrazol-1-yl]benzamide
  参考文献：
  名称：

  Virtual Ligand Screening of the p300/CBP Histone Acetyltransferase: Identification of a Selective Small Molecule Inhibitor

  摘要：

  The histone acetyltransferase (HAT) p300/CBP is a transcriptional coactivator implicated in many gene regulatory pathways and protein acetylation events. Although p300 inhibitors have been reported, a potent, selective, and readily available active-site-directed small molecule inhibitor is not yet known. Here we use a structure-based, in silico screening approach to identify a commercially available pyrazolone-containing small molecule p300 HAT inhibitor, C646. C646 is a competitive p300 inhibitor with a K-i of 400 nM and is selective versus other acetyltransferases. Studies on site-directed p300 HAT mutants and synthetic modifications of C646 confirm the importance of predicted interactions in conferring potency. Inhibition of histone acetylation and cell growth by C646 in cells validate its utility as a pharmacologic probe and suggest that p300/CBP HAT is a worthy anticancer target.

  DOI：

  10.1016/j.chembiol.2010.03.006
• 作为产物：
  描述：

  对氨基苯甲酰胺 在 盐酸 、 溶剂黄146 、 sodium nitrite 作用下， 反应 12.0h， 生成 4-(3-methyl-5-oxo-4H-pyrazol-1-yl)benzamide
  参考文献：
  名称：

  Virtual Ligand Screening of the p300/CBP Histone Acetyltransferase: Identification of a Selective Small Molecule Inhibitor

  摘要：

  The histone acetyltransferase (HAT) p300/CBP is a transcriptional coactivator implicated in many gene regulatory pathways and protein acetylation events. Although p300 inhibitors have been reported, a potent, selective, and readily available active-site-directed small molecule inhibitor is not yet known. Here we use a structure-based, in silico screening approach to identify a commercially available pyrazolone-containing small molecule p300 HAT inhibitor, C646. C646 is a competitive p300 inhibitor with a K-i of 400 nM and is selective versus other acetyltransferases. Studies on site-directed p300 HAT mutants and synthetic modifications of C646 confirm the importance of predicted interactions in conferring potency. Inhibition of histone acetylation and cell growth by C646 in cells validate its utility as a pharmacologic probe and suggest that p300/CBP HAT is a worthy anticancer target.

  DOI：

  10.1016/j.chembiol.2010.03.006

文献信息

• Substituted Imidazopyridinyl-Aminopyridine Compounds
  申请人：Ashwell Mark A.

  公开号：US20110172203A1

  公开（公告）日：2011-07-14

  The present invention relates to substituted imidazopyridinyl-aminopyridine compounds and methods of synthesizing these compounds. The present invention also relates to pharmaceutical compositions containing substituted imidazopyridinyl-aminopyridine compounds and methods of treating cell proliferative disorders, such as cancer, by administering these compounds and pharmaceutical compositions to subjects in need thereof.

  本发明涉及取代咪唑吡啶基-氨基吡啶化合物及合成这些化合物的方法。本发明还涉及含有取代咪唑吡啶基-氨基吡啶化合物的药物组合物，以及通过向需要的受试者施用这些化合物和药物组合物来治疗细胞增殖性疾病，如癌症的方法。
• 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。
• Compounds and Methods for Producing a Conjugate
  申请人：Redwood Bioscience, Inc.

  公开号：US20160038602A1

  公开（公告）日：2016-02-11

  The present disclosure provides conjugate structures and compound structures used to produce these conjugates. The disclosure also encompasses methods of production of such conjugates, as well as methods of using the same.

  本公开提供用于生产这些共轭物结构和化合物结构的共轭结构和化合物结构。本公开还涵盖了生产这种共轭物的方法，以及使用它们的方法。
• BERTHOLD, R.
  作者：BERTHOLD, R.

  DOI：——

  日期：——
• SUBSTITUTED IMIDAZOPYRIDINYL-AMINOPYRIDINE COMPOUNDS
  申请人：ArQule, Inc.

  公开号：EP2519522A2

  公开（公告）日：2012-11-07