1-((1H-pyrrolo[2,3-b]pyridin-4-yl)methyl)-3-((1-(2-chloropyrimidin-4-yl)pyrrolidin-3-yl)methyl)thiourea | 1431958-77-8

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吡咯并嘧啶类
• 英文名称: 1-((1H-pyrrolo[2,3-b]pyridin-4-yl)methyl)-3-((1-(2-chloropyrimidin-4-yl)pyrrolidin-3-yl)methyl)thiourea
• 英文别名: 1-[[1-(2-chloropyrimidin-4-yl)pyrrolidin-3-yl]methyl]-3-(1H-pyrrolo[2,3-b]pyridin-4-ylmethyl)thiourea
• CAS: 1431958-77-8
• 化学式: C₁₈H₂₀ClN₇S
• 分子量: 401.923
• InChiKey: XDKPRANJQLVUIV-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.6
• 重原子数：
  27
• 可旋转键数：
  5
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.33
• 拓扑面积：
  114
• 氢给体数：
  3
• 氢受体数：
  5

文献信息

• [EN] CHEMICAL COMPOUNDS<br/>[FR] COMPOSÉS CHIMIQUES
  申请人：GLAXOSMITHKLINE IP DEV LTD

  公开号：WO2013062945A1

  公开（公告）日：2013-05-02

  The invention is directed to substituted heteroaryl derivatives. Specifically, the invention is directed to compounds according to Formula Q: wherein D, L, M, W, X, Y, and Z are defined herein. The compounds of the invention are inhibitors of DNA methyltransferase (DNMT) activity - including DNMT1, DNMT3a, or DNMT3b - and are useful in the treatment of cancer and hyperproliferative diseases. Accordingly, the invention is further directed to pharmaceutical compositions comprising a compound of the invention. The invention is still further directed to methods of inhibiting DNMT activity and treatment of disorders associated therewith using a compound of the invention or a pharmaceutical composition comprising a compound of the invention.

  本发明涉及取代的杂芳基衍生物。具体而言，本发明涉及根据公式Q的化合物：其中D、L、M、W、X、Y和Z在此定义。本发明的化合物是DNA甲基转移酶（DNMT）活性的抑制剂，包括DNMT1、DNMT3a或DNMT3b，并且可用于治疗癌症和过度增殖性疾病。因此，本发明进一步涉及包含本发明化合物的药物组合物。本发明还进一步涉及使用本发明的化合物或包含本发明化合物的药物组合物来抑制DNMT活性和治疗相关疾病的方法。
• CHEMICAL COMPOUNDS
  申请人：GlaxoSmithKline Intellectual Property (No.2) Limited

  公开号：US20140296204A1

  公开（公告）日：2014-10-02

  The invention is directed to substituted heteroaryl derivatives. Specifically, the invention is directed to compounds according to Formula Q: wherein D, L, M, W, X, Y, and Z are defined herein. The compounds of the invention are inhibitors of DNA methyltransferase (DNMT) activity—including DNMT1, DNMT3a, or DNMT3b—and are useful in the treatment of cancer and hyperproliferative diseases. Accordingly, the invention is further directed to pharmaceutical compositions comprising a compound of the invention. The invention is still further directed to methods of inhibiting DNMT activity and treatment of disorders associated therewith using a compound of the invention or a pharmaceutical composition comprising a compound of the invention.

  本发明涉及取代杂环基衍生物。具体而言，本发明涉及符合公式Q的化合物：其中D、L、M、W、X、Y和Z在此定义。本发明的化合物是DNA甲基转移酶（DNMT）活性的抑制剂，包括DNMT1、DNMT3a或DNMT3b，并且在癌症和高增殖性疾病的治疗中有用。因此，本发明进一步涉及包含本发明化合物的制药组合物。本发明还涉及使用本发明化合物或包含本发明化合物的制药组合物抑制DNMT活性和治疗与之相关的疾病的方法。
• US9174984B2
  申请人：——

  公开号：US9174984B2

  公开（公告）日：2015-11-03