2-(6-Amino-3,5-dicyano-pyridin-2-ylsulfanyl)-acetamide | 119022-83-2

• 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-(6-Amino-3,5-dicyano-pyridin-2-ylsulfanyl)-acetamide
• 英文别名: 2-(6-Amino-3,5-dicyanopyridin-2-yl)sulfanylacetamide
• CAS: 119022-83-2
• 化学式: C₉H₇N₅OS
• mdl: MFCD00454193
• 分子量: 233.253
• InChiKey: PMCNJADTQCRCEX-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.3
• 重原子数：
  16
• 可旋转键数：
  3
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.111
• 拓扑面积：
  155
• 氢给体数：
  2
• 氢受体数：
  6

反应信息

• 作为反应物：
  描述：

  2-(6-Amino-3,5-dicyano-pyridin-2-ylsulfanyl)-acetamide 、 氢氧化钾 以86%的产率得到
  参考文献：
  名称：

  SHARANIN, YU. A.;SHESTOPALOV, A. M.;LITVINOV, V. P.;KLOKOL, G. V.;MORTIKO+, ZH. ORGAN. XIMII, 24,(1988) N 4, 854-861

  摘要：

  DOI：
• 作为产物：
  描述：

  sodium 6-amino-3,5-dicyano-2-pyridinethiolate 以94%的产率得到
  参考文献：
  名称：

  SHARANIN, YU. A.;SHESTOPALOV, A. M.;LITVINOV, V. P.;KLOKOL, G. V.;MORTIKO+, ZH. ORGAN. XIMII, 24,(1988) N 4, 854-861

  摘要：

  DOI：

文献信息

• Substituted pyridines as inhibitors of DNMT1
  申请人：GlaxoSmithKline Intellectual Property Development Limited

  公开号：US10975056B2

  公开（公告）日：2021-04-13

  The invention is directed to substituted pyridine derivatives. Specifically, the invention is directed to compounds according to Formula (Iar): wherein Yar, X1ar, X2ar, R1ar, R2ar, R3ar, R4ar and R5ar are as defined herein; or a pharmaceutically acceptable salt or prodrug thereof. The compounds of the invention are selective inhibitors of DNMT1 and can be useful in the treatment of cancer, pre-cancerous syndromes, beta hemoglobinopathy disorders, sickle cell disease, sickle cell anemia, and beta thalassemia, and diseases associated with DNMT1 inhibition. 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 DNMT1 activity and treatment of disorders associated therewith using a compound of the invention or a pharmaceutical composition comprising a compound of the invention.

  本发明涉及取代的吡啶衍生物。具体地说，本发明是针对符合式（Iar）的化合物： 其中 Yar、X1ar、X2ar、R1ar、R2ar、R3ar、R4ar 和 R5ar 如本文所定义；或其药学上可接受的盐或原药。 本发明的化合物是 DNMT1 的选择性抑制剂，可用于治疗癌症、癌前综合征、β 血红蛋白病疾病、镰状细胞病、镰状细胞性贫血和β 地中海贫血以及与 DNMT1 抑制相关的疾病。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化合物或包含本发明化合物的药物组合物抑制 DNMT1 活性和治疗与之相关疾病的方法。
• Sharanin, Yu. A.; Shestopalov, A. M.; Litvinin, V. P., Journal of Organic Chemistry USSR (English Translation), 1988, vol. 24, # 4, p. 771 - 776
  作者：Sharanin, Yu. A.、Shestopalov, A. M.、Litvinin, V. P.、Klokol, G. V.、Mortikov, V. Yu.、Demerkov, A. S.

  DOI：——

  日期：——
• SHARANIN, YU. A.;SHESTOPALOV, A. M.;LITVINOV, V. P.;KLOKOL, G. V.;MORTIKO+, ZH. ORGAN. XIMII, 24,(1988) N 4, 854-861
  作者：SHARANIN, YU. A.、SHESTOPALOV, A. M.、LITVINOV, V. P.、KLOKOL, G. V.、MORTIKO+

  DOI：——

  日期：——
• SUBSTITUTED PYRIDINES AS INHIBITORS OF DNMT1
  申请人：GlaxoSmithKline Intellectual Property Development Limited

  公开号：US20190194166A1

  公开（公告）日：2019-06-27

  The invention is directed to substituted pyridine derivatives. Specifically, the invention is directed to compounds according to Formula (Iar): wherein Y ar , X 1ar , X 2ar , R 1ar , R 2ar , R 3ar , R 4ar and R 5ar are as defined herein; or a pharmaceutically acceptable salt or prodrug thereof. The compounds of the invention are selective inhibitors of DNMT1 and can be useful in the treatment of cancer, pre-cancerous syndromes, beta hemoglobinopathy disorders, sickle cell disease, sickle cell anemia, and beta thalassemia, and diseases associated with DNMT1 inhibition. 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 DNMT1 activity and treatment of disorders associated therewith using a compound of the invention or a pharmaceutical composition comprising a compound of the invention.