5-[[6-(3-Chloro-4-propan-2-yloxyphenyl)pyridin-3-yl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吡啶及其衍生物
• 英文名称: 5-[[6-(3-Chloro-4-propan-2-yloxyphenyl)pyridin-3-yl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
• 英文别名: 5-[[6-(3-chloro-4-propan-2-yloxyphenyl)pyridin-3-yl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
• 化学式: C₁₈H₁₅ClN₂O₂S₂
• 分子量: 390.9
• InChiKey: LSXHAJVHIBDUJN-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.8
• 重原子数：
  25
• 可旋转键数：
  4
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.17
• 拓扑面积：
  109
• 氢给体数：
  1
• 氢受体数：
  5

文献信息

• [EN] BIARYLRHODANINE AND PYRIDYLRHODANINE COMPOUNDS AND THEIR USE<br/>[FR] COMPOSÉS DE BIARYLRHODANINE ET DE PYRIDYLRHODANINE ET LEUR UTILISATION
  申请人：AGENCY SCIENCE TECH & RES

  公开号：WO2010024783A1

  公开（公告）日：2010-03-04

  The present invention pertains generally to the field of therapeutic compounds, and more specifically to compounds related to rhodanine, which compounds are inter alia inhibitors and/or binders of antiapoptotic/pro-survival Bcl-2 proteins such as Bcl-XL and/or Mcl-1. More specifically, the present invention is concerned with Rhodanine- based Pan-Bcl-2 inhibitors and Mcl-1 -specific inhibitors as anti-cancer compounds. The present invention also pertains to pharmaceutical compositions comprising such compounds, and the use of such compounds and compositions, both in vitro and in vivo, to inhibit and/or bind Bcl-2 proteins such as Bcl-XL and/or Mcl-1, and in the treatment of diseases and conditions that are mediated by Bcl-2 proteins, that are ameliorated by the inhibition of Bcl-2 protein function (such as Bcl-XL and/or Mcl-1 ) including proliferative conditions such as cancer, optionally in combination with another agent.

  本发明一般涉及治疗化合物领域，更具体地涉及与罗丹宁相关的化合物，这些化合物是抑制剂和/或结合剂，用于抑制和/或结合抗凋亡/促存活的Bcl-2蛋白，如Bcl-XL和/或Mcl-1。更具体地，本发明涉及基于罗丹宁的Pan-Bcl-2抑制剂和Mcl-1特异性抑制剂作为抗癌化合物。本发明还涉及包括这些化合物的药物组合物，以及在体外和体内使用这些化合物和组合物来抑制和/或结合Bcl-2蛋白，如Bcl-XL和/或Mcl-1，并用于治疗由Bcl-2蛋白介导的疾病和症状，通过抑制Bcl-2蛋白功能（如Bcl-XL和/或Mcl-1）改善的疾病和症状，包括增殖性疾病如癌症，可选择地与另一药剂联合使用。