2,3-Dihydro-1-benzofuran-5-ylmethanethiol | 1521860-04-7

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 香豆素
• 英文名称: 2,3-Dihydro-1-benzofuran-5-ylmethanethiol
• CAS: 1521860-04-7
• 化学式: C₉H₁₀OS
• 分子量: 166.24
• InChiKey: XVUFDETZPHITBG-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.2
• 重原子数：
  11
• 可旋转键数：
  1
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.33
• 拓扑面积：
  10.2
• 氢给体数：
  1
• 氢受体数：
  2

安全信息

• 危险性防范说明：
  P261,P264,P270,P271,P280,P301+P312,P302+P352,P304+P340,P330,P363,P501
• 危险性描述：
  H302,H312,H332

文献信息

• Vinblastine 20″ amides: synthetic analogs that maintain or improve potency and simultaneously overcome Pgp-derived efflux and resistance
  申请人：The Scripps Research Institute

  公开号：US10689381B2

  公开（公告）日：2020-06-23

  A vinca alkaloid compound substituted at the 20′-position with a carboxamido group is disclosed. The carbonyl of the carboxamido group is bonded to a 20′-amino group and to a ring system that contains up to three 5-, 6- or 7-membered rings that are fused or otherwise bonded together. Each ring can be carbocyclic or heterocyclic, with a heterocyclic ring containing up to three hetero ring atoms that are the same or different and are selected from nitrogen, oxygen and sulfur. The ring system can include up to four substituent groups other than hydrogen that are discussed within. Methods of preparing the compounds are disclosed as are compositions for their use and methods of treatment using d compound. A particularly preferred compound has an activity in specified cancer cell growth inhibition assays that is the same or better than its parental, unsubstituted vinca compound and is not subject to Pgp-mediated efflux.

  本发明公开了一种在 20′位被羧酰胺基取代的长春花生物碱化合物。羧酰胺基团的羰基与 20′-氨基基团和一个环系统键合，该环系统包含最多三个融合或以其他方式键合在一起的 5、6 或 7 元环。每个环可以是碳环或杂环，其中杂环含有最多三个相同或不同的杂环原子，这些原子选自氮、氧和硫。除氢外，该环系还可包括多达四个取代基团。公开了制备化合物的方法以及使用这些化合物的组合物和使用 d 化合物进行治疗的方法。一种特别优选的化合物在特定癌细胞生长抑制实验中的活性与其亲本未取代的长春花化合物相同或更好，并且不受 Pgp 介导的外流影响。
• VINBLASTINE 20' AMIDES: SYNTHETIC ANALOGS THAT MAINTAIN OR IMPROVE POTENCY AND SIMULTANEOUSLY OVERCOME Pgp-DERIVED EFFLUX AND RESISTANCE
  申请人：The Scripps Research Institute

  公开号：US20190119277A1

  公开（公告）日：2019-04-25

  A vinca alkaloid compound substituted at the 20′-position with a carboxamido group is disclosed. The carbonyl of the carboxamido group is bonded to a 20′-amino group and to a ring system that contains up to three 5-, 6- or 7-membered rings that are fused or otherwise bonded together. Each ring can be carbocyclic or heterocyclic, with a heterocyclic ring containing up to three hetero ring atoms that are the same or different and are selected from nitrogen, oxygen and sulfur. The ring system can include up to four substituent groups other than hydrogen that are discussed within. Methods of preparing the compounds are disclosed as are compositions for their use and methods of treatment using d compound. A particularly preferred compound has an activity in specified cancer cell growth inhibition assays that is the same or better than its parental, unsubstituted vinca compound and is not subject to Pgp-mediated efflux.
• [EN] PYRIMIDINONE COMPOUNDS AND THEIR USE<br/>[FR] COMPOSÉS PYRIMIDINONES ET LEUR UTILISATION
  申请人：TAKEDA PHARMACEUTICAL

  公开号：WO2013004995A1

  公开（公告）日：2013-01-10

  The present invention provides compounds of formula (1) and pharmaceutically acceptable salts thereof, wherein R1, R2, Y and Z are as defined in the specification, processes for their preparation, pharmaceutical compositions containing them and their use in therapy.