2-ethylmercapto-5,6-dimethyl-pyrimidin-4-yl thiocyanate | 856153-40-7

• 分子结构分类: 有机化合物 - 有机硫化合物 - 硫醚类
• 英文名称: 2-ethylmercapto-5,6-dimethyl-pyrimidin-4-yl thiocyanate
• 英文别名: 2-Aethylmercapto-5,6-dimethyl-pyrimidin-4-ylthiocyanat；(2-Ethylsulfanyl-5,6-dimethylpyrimidin-4-yl) thiocyanate
• CAS: 856153-40-7
• 化学式: C₉H₁₁N₃S₂
• 分子量: 225.338
• InChiKey: NMHJJRNWXFFJJE-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.1
• 重原子数：
  14
• 可旋转键数：
  3
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.44
• 拓扑面积：
  100
• 氢给体数：
  0
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  2-ethylmercapto-5,6-dimethyl-pyrimidin-4-yl thiocyanate 在 xylene 作用下， 生成 2-ethylmercapto-5,6-dimethyl-pyrimidin-4-yl isothiocyanate
  参考文献：
  名称：

  Pyrimidine Research: The Molecular Rearrangement of 2-Ethylmercapto-4,5-dimethyl-6-thiocyanopyrimidine

  摘要：

  DOI：

  10.1021/ja01296a022
• 作为产物：
  描述：

  2-ethylmercapto-5,6-dimethyl-3H-pyrimidin-4-one 在 乙醇 、 三氯氧磷 作用下， 生成 2-ethylmercapto-5,6-dimethyl-pyrimidin-4-yl thiocyanate
  参考文献：
  名称：

  Pyrimidine Research: The Molecular Rearrangement of 2-Ethylmercapto-4,5-dimethyl-6-thiocyanopyrimidine

  摘要：

  DOI：

  10.1021/ja01296a022

文献信息

• [EN] POTENT DUAL BRD4-KINASE INHIBITORS AS CANCER THERAPEUTICS<br/>[FR] PUISSANTS DOUBLES INHIBITEURS DE BRD4 ET DE KINASE À UTILISER EN TANT QU'AGENTS THÉRAPEUTIQUES ANTICANCÉREUX
  申请人：H LEE MOFFITT CANCER CT & RES

  公开号：WO2016022460A1

  公开（公告）日：2016-02-11

  Disclosed herein are compounds that are inhibitors of BRD4 and their use in the treatment of cancer. Methods of screening for selective inhibitors of BRD4 are also disclosed. In certain aspects, disclosed are compounds of Formula I-IV.

  本文披露了一些抑制BRD4的化合物及其在癌症治疗中的应用。还披露了筛选BRD4选择性抑制剂的方法。在某些方面，披露了Formula I-IV的化合物。
• [EN] BRD4-KINASE INHIBITORS AS CANCER THERAPEUTICS<br/>[FR] INHIBITEURS DE BRD4-KINASE À UTILISER EN TANT QU'AGENTS THÉRAPEUTIQUES ANTICANCÉREUX
  申请人：H LEE MOFFITT CANCER CENTER & RES INST INC

  公开号：WO2017066428A1

  公开（公告）日：2017-04-20

  Disclosed herein are compounds that are inhibitors of BDR4 and their use in the treatment of cancer. Methods of screening for selective inhibitors of BDR4 are also disclosed. In certain aspects, disclosed are compounds of Formula I through IV.

  本文披露了一些抑制BDR4的化合物及其在癌症治疗中的应用。还披露了筛选BDR4选择性抑制剂的方法。在某些方面，披露了公式I至IV的化合物。
• Potent dual BRD4-kinase inhibitors as cancer therapeutics
  申请人：H. LEE MOFFITT CANCER CENTER AND RESEARCH INSTITUTE, INC.

  公开号：US10106507B2

  公开（公告）日：2018-10-23

  Disclosed herein are compounds that are inhibitors of BRD4 and their use in the treatment of cancer. Methods of screening for selective inhibitors of BRD4 are also disclosed. In certain aspects, disclosed are compounds of Formula I-IV.

  本文公开了作为 BRD4 抑制剂的化合物及其在治疗癌症中的用途。还公开了筛选 BRD4 选择性抑制剂的方法。在某些方面，公开了式I-IV化合物。
• BRD4-kinase inhibitors as cancer therapeutics
  申请人：H. LEE MOFFITT CANCER CENTER AND RESEARCH INSTITUTE, INC.

  公开号：US10738016B2

  公开（公告）日：2020-08-11

  Disclosed herein are compounds that are inhibitors of BDR4 and their use in the treatment of cancer. Methods of screening for selective inhibitors of BDR4 are also disclosed. In certain aspects, disclosed are compounds of Formula I through IV.

  本文公开了作为 BDR4 抑制剂的化合物及其在治疗癌症中的用途。还公开了筛选 BDR4 选择性抑制剂的方法。在某些方面，公开了式I至式IV的化合物。
• POTENT DUAL BRD4-KINASE INHIBITORS AS CANCER THERAPEUTICS
  申请人：H. LEE MOFFITT CANCER CENTER AND RESEARCH INSTITUTE, INC.

  公开号：US20170226065A1

  公开（公告）日：2017-08-10

  Disclosed herein are compounds that are inhibitors of BRD4 and their use in the treatment of cancer. Methods of screening for selective inhibitors of BRD4 are also disclosed. In certain aspects, disclosed are compounds of Formula I-IV.