methyl 4-[(4-fluorophenyl)thio]butanoate | 1096302-32-7

• 分子结构分类: 有机化合物 - 有机硫化合物 - 硫醚类
• 英文名称: methyl 4-[(4-fluorophenyl)thio]butanoate
• 英文别名: methyl 4-[(4-fluorophenyl)sulfanyl]butanoate；Methyl 4-(4-fluorophenyl)sulfanylbutanoate
• CAS: 1096302-32-7
• 化学式: C₁₁H₁₃FO₂S
• 分子量: 228.287
• InChiKey: LKVPURIZFBGJFP-UHFFFAOYSA-N

物化性质

• 沸点：
  310.0±27.0 °C(Predicted)
• 密度：
  1.17±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2.7
• 重原子数：
  15
• 可旋转键数：
  6
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.36
• 拓扑面积：
  51.6
• 氢给体数：
  0
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  methyl 4-[(4-fluorophenyl)thio]butanoate 在 N-氯代丁二酰亚胺 作用下， 以 四氯化碳 、 苯 为溶剂， 生成 methyl 4-chloro-4-((4-fluorophenyl)thio)butanoate
  参考文献：
  名称：

  Mechanism-based inhibitors of serine proteases with high selectivity through optimization of S′ subsite binding

  摘要：

  A series of mechanism-based inhibitors designed to interact with the S' subsites of serine proteases was synthesized and their inhibitory activity toward the closely-related serine proteases human neutrophil elastase (HNE) and proteinase 3 (PR 3) was investigated. The compounds were found to be time-dependent inhibitors of HNE and were devoid of any inhibitory activity toward PR 3. The results suggest that highly selective inhibitors of serine proteases whose primary substrate speci. city and active sites are similar can be identified by exploiting differences in their S' subsites. The best inhibitor (compound 16) had a k(inact)/K-I value of 4580 M-1 s(-1). (C) 2009 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmc.2009.04.011
• 作为产物：
  描述：

  对氟苯硫酚 、 4-溴丁酸甲酯 在 三乙胺 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 生成 methyl 4-[(4-fluorophenyl)thio]butanoate
  参考文献：
  名称：

  Mechanism-based inhibitors of serine proteases with high selectivity through optimization of S′ subsite binding

  摘要：

  A series of mechanism-based inhibitors designed to interact with the S' subsites of serine proteases was synthesized and their inhibitory activity toward the closely-related serine proteases human neutrophil elastase (HNE) and proteinase 3 (PR 3) was investigated. The compounds were found to be time-dependent inhibitors of HNE and were devoid of any inhibitory activity toward PR 3. The results suggest that highly selective inhibitors of serine proteases whose primary substrate speci. city and active sites are similar can be identified by exploiting differences in their S' subsites. The best inhibitor (compound 16) had a k(inact)/K-I value of 4580 M-1 s(-1). (C) 2009 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmc.2009.04.011

文献信息

• [EN] CLASS OF HDAC INHIBITORS EXPANDS THE RENAL PROGENITOR CELLS POPULATION AND IMPROVES THE RATE OF RECOVERY FROM ACUTE KIDNEY INJURY<br/>[FR] CLASSE D'INHIBITEURS DE HDAC MULTIPLIANT LA POPULATION DE CELLULES PROGÉNITRICES RÉNALES ET AMÉLIORANT LE TAUX DE RÉCUPÉRATION APRÈS UNE INSUFFISANCE RÉNALE AIGÜE
  申请人：UNIV PITTSBURGH

  公开号：WO2014071000A1

  公开（公告）日：2014-05-08

  Compounds and compositions are provided that inhibit histone deacylase activity and which expand renal progenitor cell populations and improve kidney function in a damaged kidney. Methods of use of the compounds and compositions are provided.

  提供了抑制组蛋白去乙酰化酶活性的化合物和组合物，这些化合物和组合物可以扩大肾脏祖细胞群体，并改善受损肾脏的功能。提供了这些化合物和组合物的使用方法。
• Class of HDAC Inhibitors Expands the Renal Progenitor Cells Population and Improves the Rate of Recovery from Acute Kidney Injury
  申请人：UNIVERSITY OF PITTSBURGH - OF THE COMMONWEALTH SYSTEM OF HIGHER EDUCATION

  公开号：US20150246939A1

  公开（公告）日：2015-09-03

  Compounds and compositions are provided that inhibit histone deacylase activity and which expand renal progenitor cell populations and improve kidney function in a damaged kidney. Methods of use of the compounds and compositions are provided.

  本发明提供了抑制组蛋白去乙酰化酶活性的化合物和组合物，这些化合物和组合物可以扩大肾脏前体细胞种群并改善受损肾脏的功能。同时，本发明还提供了使用这些化合物和组合物的方法。
• Class of HDAC inhibitors expands the renal progenitor cells population and improves the rate of recovery from acute kidney injury
  申请人：Day Billy W.

  公开号：US10160705B2

  公开（公告）日：2018-12-25

  Compounds and compositions are provided that inhibit histone deacylase activity and which expand renal progenitor cell populations and improve kidney function in a damaged kidney. Methods of use of the compounds and compositions are provided.

  本研究提供了抑制组蛋白脱乙酰酶活性的化合物和组合物，这些化合物和组合物能扩大肾脏祖细胞群，改善受损肾脏的肾功能。还提供了使用这些化合物和组合物的方法。
• Methods of Treatment of Kidney Injury Associated with Infection or Trauma
  申请人：University of Pittsburgh - Of the Commonwealth System of Higher Education

  公开号：US20220226266A1

  公开（公告）日：2022-07-21

  Provided herein is a method of treating kidney injury associated with trauma or infection, such as in sepsis-associated acute kidney injury.
• US9670236B2
  申请人：——

  公开号：US9670236B2

  公开（公告）日：2017-06-06