3-Ethylmercapto-4,5-diphenyl-oxazol | 14157-23-4

• 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-Ethylmercapto-4,5-diphenyl-oxazol
• 英文别名: 2-ethylsulfanyl-4,5-diphenyl-oxazole；2-ethylthio-4,5-diphenyl-oxazole；2-ethylsulfanyl-4,5-diphenyl-1,3-oxazole
• CAS: 14157-23-4
• 化学式: C₁₇H₁₅NOS
• 分子量: 281.378
• InChiKey: DPWIPELAFHQATF-UHFFFAOYSA-N

物化性质

• 沸点：
  413.2±48.0 °C(Predicted)
• 密度：
  1.21±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  4.9
• 重原子数：
  20
• 可旋转键数：
  4
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.12
• 拓扑面积：
  51.3
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  m-chloroperoxybenzoic acid 、 3-Ethylmercapto-4,5-diphenyl-oxazol 在 碳酸氢钠 、 sodium sulfite 作用下， 以 二氯甲烷 为溶剂， 生成 2-Ethylsulfinyl-4,5-diphenyloxazol
  参考文献：
  名称：

  Substituted oxazoles and thiazoles as herbicides

  摘要：

  替代氧唑并噻唑可作为除草剂。

  公开号：

  US04022607A1
• 作为产物：
  描述：

  硫氰酸乙酯 、 2-氯-2-苯基苯乙酮 在 四氯化锡 作用下， 反应 4.0h， 生成 3-Ethylmercapto-4,5-diphenyl-oxazol
  参考文献：
  名称：

  腈盐杂环合成中的硫氰酸盐

  摘要：

  与通过硝氮盐合成杂环系统的新合成方法相结合，有机硫氰酸盐代替腈（苄硫基和对硝基苯基硫氰酸盐除外）反应，生成杂环化合物，该化合物在靠近邻位的位置带有硫代烷氧基。环中的氮原子。

  DOI：

  10.1016/s0040-4020(01)82190-6

文献信息

• HISTONE DEACETYLASE INHIBITORS
  申请人：Bradner James Elliot

  公开号：US20100056588A1

  公开（公告）日：2010-03-04

  In recognition of the need to develop novel therapeutic agents, the present invention provides novel histone deacetylase inhibitors. These compounds include an ester bond making them sensitive to deactivation by esterases. Therefore, these compounds are particularly useful in the treatment of skin disorders. When the compounds reaches the bloodstream, an esterase or an enzyme with esterase activity cleaves the compound into biologically inactive fragments or fragments with greatly reduced activity Ideally these degradation products exhibit a short serum and/or systemic half-life and are eliminated rapidly. These compounds and pharmaceutical compositions thereof are particularly useful in treating cutaneous T-cell lymphoma, neurofibromatosis, psoriasis, hair loss, skin pigmentation, and dermatitis, for example. The present invention also provides methods for preparing compounds of the invention and intermediates thereto.

  为了开发新型治疗剂，本发明提供了新型组蛋白去乙酰化酶抑制剂。这些化合物包括酯键，使它们对酯酶的失活敏感。因此，这些化合物在治疗皮肤疾病方面特别有用。当这些化合物进入血液循环时，酯酶或具有酯酶活性的酶将其裂解成生物学上不活性的碎片或具有大大降低活性的碎片。理想情况下，这些降解产物表现出短的血清和/或系统半衰期，并迅速被排出体外。这些化合物及其制剂在治疗切除性T细胞淋巴瘤、神经纤维瘤、银屑病、脱发、皮肤色素沉着和皮炎等方面特别有用。本发明还提供了制备本发明化合物及其中间体的方法。
• TREATMENT OF SOLID TUMORS
  申请人：President and Fellows of Harvard College

  公开号：EP3354265A1

  公开（公告）日：2018-08-01

  The invention relates to methods of treating protein degradation disorders, such as cellular proliferative disorders (e.g., cancer). The invention provides methods and pharmaceutical compositions for treating these diseases using aggresome inhibitors or combinations of aggresome inhibitors and proteasome inhibitors. The invention further relates to methods and pharmaceutical compositions for treating solid tumors. New HDAC/TDAC inhibitors and aggresome inhibitors are also provided as well as synthetic methodologies for preparing these compounds.

  本发明涉及治疗蛋白质降解紊乱的方法，如细胞增殖紊乱（如癌症）。本发明提供了使用侵袭酶体抑制剂或侵袭酶体抑制剂和蛋白酶体抑制剂组合治疗这些疾病的方法和药物组合物。本发明还涉及治疗实体瘤的方法和药物组合物。本发明还提供了新的HDAC/TDAC抑制剂和侵袭体抑制剂以及制备这些化合物的合成方法。
• HISTONE DEACETYLASE AND TUBULIN DEACETYLASE INHIBITORS
  申请人：The President and Fellows of Harvard College

  公开号：EP2019674B1

  公开（公告）日：2016-11-23
• Histone Deacetylase and Tubulin Deacetylase Inhibitors
  申请人：Mazitschek Ralph

  公开号：US20090209590A1

  公开（公告）日：2009-08-20

  In recognition of the need to develop novel therapeutic agents and efficient methods for the synthesis thereof, the present invention provides novel inhibitors of histone deacetylases, tubulin deacetylases, and/or aggresome inhibitors, and pharmaceutically acceptable salts and derivatives thereof. The inventive compounds fall into two classes—“isotubacin” class and “isoisotubacin” class—all of which include a 1,3-dioxane core. The present invention further provides methods for treating disorders regulated by histone deacetylase activity, tubulin deacetylase activity, and/or the aggresome (e.g., proliferative diseases, cancer, inflammatory diseases, protozoal infections, protein degradation disorders, protein deposition disorders, etc.) comprising administering a therapeutically effective amount of an inventive compound to a subject in need thereof. The present invention also provides methods for preparing compounds of the invention.
• BIFUNCTIONAL HISTONE DEACETYLASE INHIBITORS
  申请人：Bradner James Elliot

  公开号：US20090312363A1

  公开（公告）日：2009-12-17

  In recognition of the need to develop novel therapeutic agents and efficient methods for the synthesis thereof, the present invention provides novel bifunctional, trifunctional, or multifunctional compounds for inhibiting histone deacetylases, and pharmaceutically acceptable salts and derivatives thereof. The present invention further provides methods for treating disorders regulated by histone deacetylase activity (e.g., proliferative diseases, cancer, inflammatory diseases, protozoal infections, hair loss, etc.) comprising administering a therapeutically effective amount of an inventive compound to a subject in need thereof. The present invention also provides methods for preparing compounds of the invention.