S-prop-2-enyl octanethioate | 1056880-43-3

• 分子结构分类: 有机化合物 - 脂质和类脂质分子 - 脂肪酰基
• 英文名称: S-prop-2-enyl octanethioate
• CAS: 1056880-43-3
• 化学式: C₁₁H₂₀OS
• 分子量: 200.345
• InChiKey: VJDHKSKXIRGYEB-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.3
• 重原子数：
  13
• 可旋转键数：
  9
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.73
• 拓扑面积：
  42.4
• 氢给体数：
  0
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  (5R,8S,11S)-11-ethenyl-5-methyl-8-propan-2-yl-10-oxa-3,17-dithia-7,14,19,20-tetrazatricyclo[14.2.1.12,5]icosa-1(18),2(20),16(19)-triene-6,9,13-trione 、 S-prop-2-enyl octanethioate 在 RuCl2(1,3-dimesityl-imidazolidin-2-yl)(PCy3)(=CHPh) 作用下， 以 甲苯 为溶剂， 反应 4.0h， 以41%的产率得到S-[(E)-3-[(5R,8S,11S)-5-methyl-6,9,13-trioxo-8-propan-2-yl-10-oxa-3,17-dithia-7,14,19,20-tetrazatricyclo[14.2.1.12,5]icosa-1(18),2(20),16(19)-trien-11-yl]prop-2-enyl] octanethioate
  参考文献：
  名称：

  Synthesis and Activity of Largazole Analogues with Linker and Macrocycle Modification

  摘要：

  To characterize largazole's structural requirements for histone deacetylase (HDAC) inhibitory and anti proliferative activities, a series of analogues with modifications to the side chain or 16-membered macrocycle were prepared and biologically evaluated. Structure-activity relationships suggested that the four-atom linker between the macrocycle and octanoyl group in the side chain and the (S)-configuration at the C17 position are critical to repression of HDAC activity. However, the valine residue in the macrocycle can be replaced with alanine without significant loss of activity.

  DOI：

  10.1021/ol801532s
• 作为产物：
  描述：

  硫代辛酸 、 3-溴丙烯 在 sodium hydride 作用下， 以 四氢呋喃 为溶剂， 反应 5.17h， 以90%的产率得到S-prop-2-enyl octanethioate
  参考文献：
  名称：

  Synthesis and Activity of Largazole Analogues with Linker and Macrocycle Modification

  摘要：

  To characterize largazole's structural requirements for histone deacetylase (HDAC) inhibitory and anti proliferative activities, a series of analogues with modifications to the side chain or 16-membered macrocycle were prepared and biologically evaluated. Structure-activity relationships suggested that the four-atom linker between the macrocycle and octanoyl group in the side chain and the (S)-configuration at the C17 position are critical to repression of HDAC activity. However, the valine residue in the macrocycle can be replaced with alanine without significant loss of activity.

  DOI：

  10.1021/ol801532s

文献信息

• METHODS OF MAKING BLOCKED-MERCAPTO ALKOXY-MODIFIED SILSESQUIOXANE COMPOUNDS
  申请人：Hergenrother William L.

  公开号：US20090171014A1

  公开（公告）日：2009-07-02

  Methods of forming blocked-mercapto alkoxy-modified silsesquioxanes are provided. The blocked-mercapto alkoxy-modified silsesquioxane compounds contain an alkoxysilane group that participates in an alkoxysilane-silica reaction as a silica dispersing agent in rubber, with the release of zero to about 0.1% by weight of the rubber as alcohol (a volatile organic compound (VOC)), during compounding and further processing. The blocked-mercapto alkoxy-modified silsesquioxane compounds also contain a blocked mercapto group which, when de-blocked, allows the mercapto group to interact with the polymer(s) in a rubber composition. Further described are rubber compounds containing the blocked-mercapto alkoxy-modified silsesquioxanes.
• US8962746B2
  申请人：——

  公开号：US8962746B2

  公开（公告）日：2015-02-24
• US9447244B2
  申请人：——

  公开号：US9447244B2

  公开（公告）日：2016-09-20