N-(4-(2-chloroacetyl)phenyl)benzamide

• 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: N-(4-(2-chloroacetyl)phenyl)benzamide
• 英文别名: benzoic acid-(4-chloroacetyl-anilide)；ω-Chlor-4-benzamino-acetophenon；Benzoesaeure-(4-chloracetyl-anilid)；N-[4-(2-chloroacetyl)phenyl]benzamide
• 化学式: C₁₅H₁₂ClNO₂
• mdl: MFCD06655697
• 分子量: 273.719
• InChiKey: CSABDAXPSTVWLP-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.9
• 重原子数：
  19
• 可旋转键数：
  4
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.066
• 拓扑面积：
  46.2
• 氢给体数：
  1
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  N-(4-(2-chloroacetyl)phenyl)benzamide 在 吡啶 、 propylphosphonic anhydride 作用下， 以 乙醇 、 乙酸乙酯 、 乙腈 为溶剂， 反应 96.5h， 生成 N-(4-(4-benzamidophenyl)thiazol-2-yl)-2,4-dimethylthiazole-5-carboxamide
  参考文献：
  名称：

  COMPOSITIONS AND METHODS OF TARGETING MUTANT K-RAS

  摘要：

  提供了抑制K-ras，尤其是突变K-ras的化合物和组合物。某些化合物优先或甚至选择性地抑制特定形式的突变K-Ras，特别是G12D突变形式。

  公开号：

  US20180086752A1
• 作为产物：
  描述：

  4-(2-氯乙酰)乙酰苯胺 生成 N-(4-(2-chloroacetyl)phenyl)benzamide
  参考文献：
  名称：

  Kunckell, Chemisches Zentralblatt, 1912, vol. 83, # I, p. 135

  摘要：

  DOI：

文献信息

• A novel HDAC inhibitor with a hydroxy-pyrimidine scaffold
  作者：Melissa M. Kemp、Qiu Wang、Jason H. Fuller、Nathan West、Nicole M. Martinez、Elizabeth M. Morse、Michel Weïwer、Stuart L. Schreiber、James E. Bradner、Angela N. Koehler

  DOI：10.1016/j.bmcl.2011.05.098

  日期：2011.7

  Histone deacetylases (HDACs) are enzymes involved in many important biological functions. They have been linked to a variety of cancers, psychiatric disorders, and other diseases. Since small molecules can serve as probes to study the relevant biological roles of HDACs, novel scaffolds are necessary to develop more efficient, selective drug candidates. Screening libraries of molecules may yield structurally diverse probes that bind these enzymes and modulate their functions in cells. Here we report a small molecule with a novel hydroxy-pyrimidine scaffold that inhibits multiple HDAC enzymes and modulates acetylation levels in cells. Analogs were synthesized in an effort to evaluate structure-activity relationships. (C) 2011 Elsevier Ltd. All rights reserved.
• [EN] COMPOSITIONS AND METHODS OF TARGETING MUTANT K-RAS<br/>[FR] COMPOSITIONS ET MÉTHODES DE CIBLAGE DE K-RAS MUTANT
  申请人：NANTBIOSCIENCE INC

  公开号：WO2016161361A1

  公开（公告）日：2016-10-06

  Compounds and compositions are presented that inhibit K-ras, and especially mutant K-ras. Certain compounds preferentially or even selectively inhibit specific forms of mutant K-Ras, and particularly the G12D mutant form.
• COMPOSITIONS AND METHODS OF TARGETING MUTANT K-RAS
  申请人：NantBioScience, Inc.

  公开号：US20180086752A1

  公开（公告）日：2018-03-29

  Compounds and compositions are presented that inhibit K-ras, and especially mutant K-ras. Certain compounds preferentially or even selectively inhibit specific forms of mutant K-Ras, and particularly the G12D mutant form.

  提供了抑制K-ras，尤其是突变K-ras的化合物和组合物。某些化合物优先或甚至选择性地抑制特定形式的突变K-Ras，特别是G12D突变形式。
• Kunckell, Chemisches Zentralblatt, 1912, vol. 83, # I, p. 135
  作者：Kunckell

  DOI：——

  日期：——