3-Methylsulfanyl-3-morpholin-4-yl-acrylonitrile | 537039-14-8

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 恶嗪烷类
• 英文名称: 3-Methylsulfanyl-3-morpholin-4-yl-acrylonitrile
• 英文别名: 3-methylsulfanyl-3-morpholin-4-ylprop-2-enenitrile
• CAS: 537039-14-8
• 化学式: C₈H₁₂N₂OS
• mdl: MFCD14703619
• 分子量: 184.262
• InChiKey: WQDLAQOPKPKCRW-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.7
• 重原子数：
  12
• 可旋转键数：
  2
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.62
• 拓扑面积：
  61.6
• 氢给体数：
  0
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  3-Methylsulfanyl-3-morpholin-4-yl-acrylonitrile 在 肼 作用下， 以 乙醇 为溶剂， 反应 18.0h， 以100%的产率得到5-吗啉-1H-吡唑-3-胺
  参考文献：
  名称：

  Hit to lead optimization of pyrazolo[1,5-a]pyrimidines as B-Raf kinase inhibitors

  摘要：

  Our continued effort towards optimization of the pyrazolo[1,5-a]pyrimidine scaffold as B-Raf kinase inhibitors is described. Structure guided design was utilized to introduce kinase hinge region interacting groups in the 2-position of the scaffold. This strategy led to the identification of lead compound 9 with enhanced enzyme and cellular potency, while maintaining good selectivity over a number of kinases. (C) 2009 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2009.10.074
• 作为产物：
  描述：

  吗啉 、 2-cyano-3,3-bis(methylsulfanyl)prop-2-enoic acid 在 三乙胺 作用下， 以 甲醇 为溶剂， 反应 8.0h， 以80%的产率得到3-Methylsulfanyl-3-morpholin-4-yl-acrylonitrile
  参考文献：
  名称：

  Hit to lead optimization of pyrazolo[1,5-a]pyrimidines as B-Raf kinase inhibitors

  摘要：

  Our continued effort towards optimization of the pyrazolo[1,5-a]pyrimidine scaffold as B-Raf kinase inhibitors is described. Structure guided design was utilized to introduce kinase hinge region interacting groups in the 2-position of the scaffold. This strategy led to the identification of lead compound 9 with enhanced enzyme and cellular potency, while maintaining good selectivity over a number of kinases. (C) 2009 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2009.10.074

文献信息

• Immugenic compositions and diagnostic and therapeutic uses thereof
  申请人：Zhang Zaihui

  公开号：US20050272709A1

  公开（公告）日：2005-12-08

  Pharmaceutical compositions and compounds are provided. The compounds of the invention deomonstrate anti-proliferative activity, and may promote apoptosis in cells lacking normal regulation of cell cycle and death. In one embodiment of the invention, pharmaceutical compositions of the compounds in combination with a physiologically acceptable carrier are provided. The pharmaceutical compositions are useful in the treatment of hyperproliferative disorders, which disorders include tumor growth, lymphoproliferative diseases, angiogenesis. The compounds of the invention are substituted pyrazoles and pyrazolines.

  本发明提供了制药组合物和化合物。本发明的化合物表现出抗增殖活性，并可能促进缺乏正常细胞周期和死亡调节的细胞凋亡。在本发明的一种实施例中，提供了化合物与生理可接受载体的制药组合物。这些制药组合物可用于治疗高增殖性疾病，包括肿瘤生长、淋巴增殖性疾病、血管生成等疾病。本发明的化合物是取代的吡唑和吡唑啉。
• Hydrazonopyrazole derivatives and their use as therapeutics
  申请人：Valocor Therapeutics, Inc.

  公开号：US07875728B2

  公开（公告）日：2011-01-25

  Pharmaceutical compositions and compounds are provided. The compounds of the invention demonstrate anti-proliferative activity, and may promote apoptosis in cells lacking normal regulation of cell cycle and death. In one embodiment of the invention, pharmaceutical compositions of the compounds in combination with a physiologically acceptable carrier are provided. The pharmaceutical compositions are useful in the treatment of hyperproliferative disorders, which disorders include tumor growth, lymphoproliferative diseases, angiogenesis. The compounds of the invention are substituted pyrazoles and pyrazolines.

  本发明提供了药物组合物和化合物。本发明的化合物表现出抗增殖活性，并可能促进缺乏正常细胞周期和死亡调节的细胞凋亡。在本发明的一种实施例中，提供了化合物与生理上可接受的载体组合的药物组合物。这些药物组合物在治疗增生性疾病方面是有用的，这些疾病包括肿瘤生长，淋巴增生性疾病和血管生成。本发明的化合物是取代的吡唑和吡唑烷。
• HYDRAZONOPYRAZOLE DERIVATIVES AND THEIR USE AS THERAPEUTICS
  申请人：Zhang Zaihui

  公开号：US20110237783A1

  公开（公告）日：2011-09-29

  Pharmaceutical compositions and compounds are provided. The compounds of the invention demonstrate anti-proliferative activity, and may promote apoptosis in cells lacking normal regulation of cell cycle and death. In one embodiment of the invention, pharmaceutical compositions of the compounds in combination with a physiologically acceptable carrier are provided. The pharmaceutical compositions are useful in the treatment of hyperproliferative disorders, which disorders include tumor growth, lymphoproliferative diseases, angiogenesis. The compounds of the invention are substituted pyrazoles and pyrazolines.

  本发明提供了药物组合物和化合物。本发明的化合物表现出抗增殖活性，并可能促进缺乏正常细胞周期和死亡调节的细胞凋亡。在本发明的一个实施例中，提供了与生理学上可接受的载体结合的化合物的药物组合物。这些药物组合物在治疗增生性疾病方面有用，这些疾病包括肿瘤生长、淋巴增生性疾病和血管生成等疾病。本发明的化合物是取代的吡唑和吡唑啉。
• Hit to lead optimization of pyrazolo[1,5-a]pyrimidines as B-Raf kinase inhibitors
  作者：Ariamala Gopalsamy、Greg Ciszewski、Mengxiao Shi、Dan Berger、Yongbo Hu、Frederick Lee、Larry Feldberg、Eileen Frommer、Steven Kim、Karen Collins、Donald Wojciechowicz、Robert Mallon

  DOI：10.1016/j.bmcl.2009.10.074

  日期：2009.12

  Our continued effort towards optimization of the pyrazolo[1,5-a]pyrimidine scaffold as B-Raf kinase inhibitors is described. Structure guided design was utilized to introduce kinase hinge region interacting groups in the 2-position of the scaffold. This strategy led to the identification of lead compound 9 with enhanced enzyme and cellular potency, while maintaining good selectivity over a number of kinases. (C) 2009 Elsevier Ltd. All rights reserved.