Hexanothiohydroxamic Acid | 132637-58-2

• 分子结构分类: 有机化合物 - 有机硫化合物 - 硫代酰胺
• 英文名称: Hexanothiohydroxamic Acid
• 英文别名: N-hydroxyhexanethioamide
• CAS: 132637-58-2
• 化学式: C₆H₁₃NOS
• 分子量: 147.241
• InChiKey: NUVGQZKUHNKMEH-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.6
• 重原子数：
  9
• 可旋转键数：
  4
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.83
• 拓扑面积：
  64.4
• 氢给体数：
  2
• 氢受体数：
  2

反应信息

• 作为产物：
  描述：

  1-硝基己烷 在 双(三甲基硫化硅) 、 potassium hydride 作用下， 生成 Hexanothiohydroxamic Acid
  参考文献：
  名称：

  Counterattack reagents: Thiosilanes in the conversion of nitro compounds to thiohydroxamic acids and thiohydroximates

  摘要：

  DOI：

  10.1016/s0040-4020(01)89057-8

文献信息

• EP1461324A4
  申请人：——

  公开号：EP1461324A4

  公开（公告）日：2006-02-01
• HETEROCYCLIC COMPOUNDS, COMBINATORIAL LIBRARIES THEREOF AND METHODS OF SELECTING DRUG LEADS
  申请人：Yissum Research Development Company of the Hebrew University of Jerusalem

  公开号：EP1461324A2

  公开（公告）日：2004-09-29
• [EN] HETEROCYCLIC COMPOUNDS, COMBINATORIAL LIBRARIES THEREOF AND METHODS OF SELECTING DRUG LEADS<br/>[FR] COMPOSES HETEROCYCLIQUES, BANQUES COMBINATOIRES DE CEUX-CI ET PROCEDES DE SELECTION DE MEDICAMENTS TETES DE SERIE
  申请人：YISSUM RES DEV CO

  公开号：WO2003059876A2

  公开（公告）日：2003-07-24

  The present invention provides new heterocyclic compounds that have a relatively flexible backbone. These compounds may be used to produce new combinatorial libraries that will permit screening for lead compounds and selection of drug candidates for a variety of uses in human medicine, veterinary medicine and in agriculture. The members of libraries provided by the invention differ from each other (in addition to the conventional chemical and positional diversity attained by the different substituents on the ring) in two novel aspects : (a) the ring size; and (b) the chirality of the substituents on the ring. This leads to conformational diversity and flexibility that allows the selection of the most active compound, not only on the basis of the nature and proper arrangement of the substituents attained by the known chemical and positional diversity, but also based on the ability to undergo conformational complementarity attained by the conformational diversity. The present invention further provides combinatorial libraries comprising a plurality of the heterocyclic compounds of the present invention, and methods of screening the combinatorial libraries for compounds having a beneficial biological effect. The screening methods provided herein may be automated and/or computerized, for example by using a computer program to virtually screen the combinatorial libraries in order to identify compounds that are predicted to adopt bioactive conformations that will give rise to the desired biological effect.
• Counterattack reagents: Thiosilanes in the conversion of nitro compounds to thiohydroxamic acids and thiohydroximates
  作者：Jih Ru Hwu、Shwu-Chen Tsay

  DOI：10.1016/s0040-4020(01)89057-8

  日期：——