3-(2-Ethynyl-1,3-thiazol-4-yl)-2-methylcyclopent-2-en-1-ol

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 唑类
• 英文名称: 3-(2-Ethynyl-1,3-thiazol-4-yl)-2-methylcyclopent-2-en-1-ol
• 英文别名: 3-(2-ethynyl-1,3-thiazol-4-yl)-2-methylcyclopent-2-en-1-ol
• 化学式: C₁₁H₁₁NOS
• 分子量: 205.28
• InChiKey: UBTALUNCVHPQQK-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.1
• 重原子数：
  14
• 可旋转键数：
  2
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.36
• 拓扑面积：
  61.4
• 氢给体数：
  1
• 氢受体数：
  3

文献信息

• [EN] HIGHLY SELECTIVE ANTI-CANCER AGENTS TARGETING NON-SMALL CELL LUNG CANCER AND OTHER FORMS OF CANCER<br/>[FR] AGENTS ANTICANCÉREUX HAUTEMENT SÉLECTIFS CIBLANT LE CANCER DE POUMON NON À PETITES CELLULES ET D'AUTRES FORMES DE CANCER
  申请人：UNIV TOLEDO

  公开号：WO2014116594A1

  公开（公告）日：2014-07-31

  Described herein are analogues of 2-methyl-3-(2-ethynylthiazol-4-yl)cyclopent-2-enol and the corresponding ketone 3-(2-ethynylthiazol-4-yl)-2-methylcyclopent-2-enone, the analogues having terminal alkyne groups at the 2-position of the thiazole ring. These drug-like molecules, referred to as CETZOLE compounds, are useful to treat non-small cell lung cancer and other forms of cancer. Methods of making and using the compounds, methods of treating various diseases, pharmaceutical compositions, and kits are also disclosed.

  本文描述了2-甲基-3-(2-乙炔基噻唑-4-基)环戊-2-烯醇及其相应的酮3-(2-乙炔基噻唑-4-基)-2-甲基环戊-2-烯酮的类似物，这些类似物在噻唑环的2位具有末端炔基团。这些类似药物分子被称为CETZOLE化合物，可用于治疗非小细胞肺癌和其他形式的癌症。还公开了制备和使用这些化合物的方法、治疗各种疾病的方法、药物组合物和试剂盒。
• Highly selective anti-cancer agents targeting non-small cell lung cancer and other forms of cancer
  申请人：The University of Toledo

  公开号：US10138216B2

  公开（公告）日：2018-11-27

  Described herein are analogues of 2-methyl-3-(2-ethynylthiazol-4-yl)cyclopent-2-enol and the corresponding ketone 3-(2-ethynylthiazol-4-yl)-2-methylcyclopent-2-enone, the analogues having terminal alkyne groups at the 2-position of the thiazole ring. These drug-like molecules, referred to as CETZOLE compounds, are useful to treat non-small cell lung cancer and other forms of cancer. Methods of making and using the compounds, methods of treating various diseases, pharmaceutical compositions, and kits are also disclosed.

  本文描述的是 2-甲基-3-(2-乙炔基噻唑-4-基)环戊-2-烯醇和相应的酮 3-(2-乙炔基噻唑-4-基)-2-甲基环戊-2-烯酮的类似物，这些类似物在噻唑环的 2 位具有末端炔基。这些药物样分子被称为 CETZOLE 化合物，可用于治疗非小细胞肺癌和其他形式的癌症。此外，还公开了制造和使用这些化合物的方法、治疗各种疾病的方法、药物组合物和试剂盒。
• Highly Selective Anti-Cancer Agents Targeting Non-Small Cell Lung Cancer and Other Forms of Cancer
  申请人：THE UNIVERSITY OF TOLEDO

  公开号：US20150344448A1

  公开（公告）日：2015-12-03

  Described herein are analogues of 2-methyl-3-(2-ethynylthiazol-4-yl)cyclopent-2-enol and the corresponding ketone 3-(2-ethynylthiazol-4-yl)-2-methylcyclopent-2-enone, the analogues having terminal alkyne groups at the 2-position of the thiazole ring. These drug-like molecules, referred to as CETZOLE compounds, are useful to treat non-small cell lung cancer and other forms of cancer. Methods of making and using the compounds, methods of treating various diseases, pharmaceutical compositions, and kits are also disclosed.
• US9862692B2
  申请人：——

  公开号：US9862692B2

  公开（公告）日：2018-01-09