3-chloro-4-(2-cyanophenoxy)-N-(2,2,6,6-tetramethylpiperidin-4-yl)benzamide | 1377995-86-2

• 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-chloro-4-(2-cyanophenoxy)-N-(2,2,6,6-tetramethylpiperidin-4-yl)benzamide
• CAS: 1377995-86-2
• 化学式: C₂₃H₂₆ClN₃O₂
• 分子量: 411.931
• InChiKey: KNXCUUQQZLJSCT-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.4
• 重原子数：
  29
• 可旋转键数：
  4
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.39
• 拓扑面积：
  74.2
• 氢给体数：
  2
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  3-chloro-4-(2-cyanophenoxy)-N-(2,2,6,6-tetramethylpiperidin-4-yl)benzamide 、 3-碘丙醇 、 potassium carbonate 在 氮 、 乙酸乙酯 、 Brine 、 Sodium sulfate-III 、 crude residue 、 N,N-二甲基甲酰胺 、 水 、 甲醇 、 PTFE 、 乙腈 、 碳酸氢钠 、 二氯甲烷 作用下， 以 乙腈 、 碳酸氢钠 为溶剂， 反应 1.5h， 以to provide a white powder (51 mg, 41%)的产率得到3-chloro-4-(2-cyanophenoxy)-N-(1-(3-hydroxypropyl)-2,2,6,6-tetramethylpiperidin-4-yl)benzamide
  参考文献：
  名称：

  MODULATORS OF METHYL MODIFYING ENZYMES, COMPOSITIONS AND USES THEREOF

  摘要：

  本文提供了用于调节甲基修饰酶的代理，以及其组合物和用途。

  公开号：

  US20130310379A1
• 作为产物：
  描述：

  2-氟苯腈 、 3-chloro-4-hydroxy-N-(2,2,6,6-tetramethylpiperidin-4-yl)benzamide 在 potassium carbonate 、 盐酸 作用下， 以 二甲基亚砜 、 水 为溶剂， 反应 12.0h， 生成 3-chloro-4-(2-cyanophenoxy)-N-(2,2,6,6-tetramethylpiperidin-4-yl)benzamide
  参考文献：
  名称：

  Discovery and Optimization of Tetramethylpiperidinyl Benzamides as Inhibitors of EZH2

  摘要：

  The identification and development of a novel series of small molecule Enhancer of Zeste Homologue 2 (EZH2) inhibitors is described. A concise and modular synthesis enabled the rapid development of structure activity relationships, which led to the identification of 44 as a potent, SAM-competitive inhibitor of EZH2 that dose-dependently decreased global H3K27me3 in KARPAS-422 lymphoma cells.

  DOI：

  10.1021/ml400494b

文献信息

• FLOW CYTOMETRY FOR MONITORING HISTONE H3 METHYLATION STATUS
  申请人：Epizyme Inc

  公开号：EP3674709A1

  公开（公告）日：2020-07-01

  The present disclosure relates to methods of detecting histone epigenetic modifications and compositions comprising inhibitors of human histone methyltransferase EZH2 and their use for the treatment of cancer.

  本公开涉及组蛋白表观遗传修饰的检测方法和包含人组蛋白甲基转移酶EZH2抑制剂的组合物及其在癌症治疗中的应用。
• EZH2 inhibitors for treating lymphoma
  申请人：Epizyme, Inc.

  公开号：US10166238B2

  公开（公告）日：2019-01-01

  The present invention relates to compositions comprising inhibitors of human histone methyltransferase EZH2 and their use for the treatment of cancer.

  本发明涉及包含人组蛋白甲基转移酶 EZH2 抑制剂的组合物及其用于治疗癌症的用途。
• Method for treating cancer
  申请人：Epizyme, Inc.

  公开号：US10369155B2

  公开（公告）日：2019-08-06

  The present invention provides a method for treating or alleviating a symptom of a disorder, e.g., immune evasion, cancer-cell induced immune dysfunction, reduced immune response, lowered inflammation, decreased expression of a major histocompatibility complex (MHC), or cancer, characterized by aberrant, misregulated, or increased Enhancer of Zeste Homolog 2 (EZH2) activity in a cell or subject in need thereof by contacting the cell or administering to the subject a therapeutically effective amount of an EZH2 inhibitor.

  本发明提供了一种治疗或缓解紊乱症状的方法，例如免疫逃避、癌细胞诱导的免疫功能障碍、免疫反应减弱、炎症反应减弱、主要组织相容性复合体（MHC）表达减弱或癌症，这些紊乱症状的特征是需要治疗的细胞或受试者的泽斯特同源酶2（EZH2）活性异常、失调或增强，其方法是通过与细胞接触或向受试者施用治疗有效量的EZH2抑制剂。
• Compositions and methods for the diagnosis and treatment of ovarian cancers that are associated with reduced SMARCA4 gene expression or protein function
  申请人：Memorial Sloan Kettering Cancer Center

  公开号：US11441190B2

  公开（公告）日：2022-09-13

  Provided are compositions and methods for the identification and treatment of ovarian cancers, such as small cell ovarian cancers, in particular small cell carcinoma of the ovary, hypercalcemic type (SCCOHT), which ovarian cancers are characterized by reduced SMARCA4 gene expression and/or protein function and, as a consequence, are sensitive to growth and/or survival inhibition by one or more compounds that restore SMARCA4 gene expression and/or protein function.

  本发明提供了用于鉴定和治疗卵巢癌，如小细胞卵巢癌，特别是卵巢高钙型小细胞癌（SCCOHT）的组合物和方法，这种卵巢癌的特征是SMARCA4基因表达和/或蛋白功能降低，因此对一种或多种恢复SMARCA4基因表达和/或蛋白功能的化合物的生长和/或存活抑制敏感。
• METHOD OF TREATING CANCER
  申请人：EPIZYME, INC.

  公开号：US20160228447A1

  公开（公告）日：2016-08-11

  The present invention relates to methods of treating cancer by administering an EZH2 inhibitor or a pharmaceutical composition thereof to subject in need thereof.