2-tritylsulfanyl-hexanoic acid | 708269-20-9

• 分子结构分类: 有机化合物 - 苯类化合物 - 三苯基化合物
• 英文名称: 2-tritylsulfanyl-hexanoic acid
• 英文别名: Trityl-thiohexanoic acid；2-Tritylsulfanylhexanoic acid
• CAS: 708269-20-9
• 化学式: C₂₅H₂₆O₂S
• 分子量: 390.546
• InChiKey: ZVVUZBRRISHPSW-UHFFFAOYSA-N

物化性质

• 沸点：
  522.3±38.0 °C(Predicted)
• 密度：
  1.145±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  7
• 重原子数：
  28
• 可旋转键数：
  9
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.24
• 拓扑面积：
  62.6
• 氢给体数：
  1
• 氢受体数：
  3

反应信息

• 作为产物：
  描述：

  PE 、 2-溴己酸 、 三苯甲硫醇 生成 2-tritylsulfanyl-hexanoic acid
  参考文献：
  名称：

  摘要：

  DOI：

文献信息

• Heterocyclic compounds, method of developing new drug leads and combinatorial libraries used in such method
  申请人：YISSUM RESEARCH DEVELOPMENT COMPANY OF THE HEBREW UNIVERSITY OF JERUSALEM

  公开号：US20030144260A1

  公开（公告）日：2003-07-31

  The present invention provides according to a first of its aspects, new compounds that have a flexible scaffold with various degrees of conformational restriction and accordingly are useful as drug candidates. These compounds may be used to produce new combinatorial libraries that will permit to screen for and select drug candidates for a variety of uses in human medicine, veterinary medicine and in agriculture.

  根据其第一方面，本发明提供了具有灵活支架和不同程度构象限制的新化合物，因此可用作药物候选物。这些化合物可用于生成新的组合库，从而可以筛选和选择用于人类医学、兽医学和农业各种用途的药物候选物。
• Derivatives of succinic and glutaric acids and analogs thereof useful as inhibitors of phex
  申请人：Gravel Denis

  公开号：US20060135480A1

  公开（公告）日：2006-06-22

  The present invention relates to derivatives of succinic and glutaric acids and analogues thereof, having the following general formula (I), useful as inhibitors of PHEX. These derivatives are useful for promoting generation of bone mass and treating or preventing diseases or conditions associated with a phosphate metabolism defect. Methods for preparation and intermediates are also disclosed.

  本发明涉及琥珀酸和戊二酸的衍生物及其类似物，具有以下一般式（I），可用作PHEX的抑制剂。这些衍生物有助于促进骨量的生成，并治疗或预防与磷酸盐代谢缺陷相关的疾病或病症。本发明还公开了制备方法和中间体。
• Derivatives of succinic and glutaric acids and analogs thereof useful as inhibitors of PHEX
  申请人：Gravel Denis

  公开号：US20060287280A1

  公开（公告）日：2006-12-21

  The present invention relates to derivatives of succinic and glutaric acids and analogues thereof, having the following general formula: useful as inhibitors of PHEX. These derivatives are useful for promoting generation of bone mass and treating or preventing diseases or conditions associated with a phosphate metabolism defect. Methods for preparation and intermediates are also disclosed.

  本发明涉及琥珀酸和戊二酸及其类似物的衍生物，其具有以下一般式：用作PHEX的抑制剂。这些衍生物有助于促进骨量的生成，并用于治疗或预防与磷酸盐代谢缺陷有关的疾病或病况。本发明还公开了制备方法和中间体。
• Heterocyclic compounds, combinatorial libraries thereof and methods of selecting drug leads
  申请人：Gilon Chaim

  公开号：US20050266496A1

  公开（公告）日：2005-12-01

  Heterocyclic compounds having a relatively flexible backbone are used to create combinatorial libraries that permit screening for lead compounds and selection of drug candidates for a variety of uses in human and veterinary medicine as well as in agriculture. The compounds of the library generally differ in ring size and chirality of substituents on the ring. Also disclosed are methods for providing and screening these libraries, preferably in an automated or computerizable manner, such as by using a computer program to virtually screen the compounds in order to identify those that are predicted to have bioactive conformations that should give rise to desirable biological effects.

  具有相对灵活骨架的杂环化合物可用于创建组合化合物库，从而筛选先导化合物和候选药物，用于人类和兽医以及农业的多种用途。化合物库中的化合物一般在环的大小和环上取代基的手性上有所不同。此外，还公开了提供和筛选这些化合物库的方法，最好是以自动化或可计算机化的方式，如使用计算机程序对化合物进行虚拟筛选，以确定那些预测具有生物活性构象的化合物，从而产生理想的生物效应。
• EP1461324A4
  申请人：——

  公开号：EP1461324A4

  公开（公告）日：2006-02-01