heptyl trifluoromethanesulfonate | 156631-29-7

• 分子结构分类: 有机化合物 - 有机酸及其衍生物 - 有机磺酸及其衍生物
• 英文名称: heptyl trifluoromethanesulfonate
• 英文别名: heptyl triflate
• CAS: 156631-29-7
• 化学式: C₈H₁₅F₃O₃S
• 分子量: 248.267
• InChiKey: SEOVUBQBDQZFQD-UHFFFAOYSA-N

物化性质

• 沸点：
  228.3±35.0 °C(Predicted)
• 密度：
  1.214±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  3.7
• 重原子数：
  15
• 可旋转键数：
  7
• 环数：
  0.0
• sp3杂化的碳原子比例：
  1.0
• 拓扑面积：
  51.8
• 氢给体数：
  0
• 氢受体数：
  6

反应信息

• 作为反应物：
  描述：

  heptyl trifluoromethanesulfonate 、 3-oxo-5-phenyl-4S-(tritylamino)pentanoic acid allyl ester 在 sodium hydride 作用下， 以 四氢呋喃 为溶剂， 生成
  参考文献：
  名称：

  Highly Stereoselective Syntheses of syn- and anti-1,2-Amino Alcohols

  摘要：

  The reduction of N-protected amino ketones can be carried stereoselectively to produce either the syn- or anti-amino alcohol diastereomer. Carbamate-protected amino ketones can be reduced predictably and selectively to anti-amino alcohols with LiAlH(O-t-BU)(3) in ethanol at -78 degreesC. N-Trityl-protected amino ketones can be reduced selectively to syn-amino alcohols with LiAlH(O-t-Bu)(3) in THF at -5 degreesC.

  DOI：

  10.1021/jo010270f
• 作为产物：
  描述：

  heptyl(phenyl)sulfane 以38%的产率得到
  参考文献：
  名称：

  Takeuchi Hiroshi, Oya Hiromo, Yanase Takehiro, Itou Katsutaka, Adachi Tak+, J. Chem. Soc. Perkin Trans. 2, (1994) N 4, S 827-833

  摘要：

  DOI：

文献信息

• Alicyclic peptidomimetics
  申请人：The Trustees of the University of Pennsylvania

  公开号：US05550251A1

  公开（公告）日：1996-08-27

  Compounds are provided which are crossreactive with peptides such as those bound by G-protein-linked receptors, together with preparative and therapeutic methods therefor. The compounds have the general structure: ##STR1## wherein at least one of R.sub.1, R.sub.2, R.sub.3, R.sub.4, R.sub.5 or R.sub.6 comprises a chemical functional group which causes the compounds to be crossreactive with the peptide of interest.

  提供了与肽类似物交叉反应的化合物，这些肽类似物与G蛋白偶联受体结合，以及与之相关的制备和治疗方法。这些化合物具有以下一般结构：##STR1##其中R.sub.1、R.sub.2、R.sub.3、R.sub.4、R.sub.5或R.sub.6中至少有一个包含导致化合物与感兴趣的肽类似物发生交叉反应的化学官能团。
• Zwitterionic pyridinium derivatives of [<i>closo</i>-1-CB₉H₁₀]⁻and [<i>closo</i>-1-CB₁₁H₁₂]⁻as high Δ<i>ε</i>additives to a nematic host
  作者：Jacek Pecyna、Damian Pociecha、Piotr Kaszyński

  DOI：10.1039/c3tc32351j

  日期：——

  Pyridinium zwitterions ofcloso-boranes were conveniently obtained from 4-alkoxypyrylium salts and investigated as high Δεadditives to nematics.

  通过4-烷氧基吡啶盐，方便地获得了closo-硼烷的吡啶酮离子，并作为高Δε添加剂用于向列相的研究。
• Asymmetric synthesis and evaluation of a hydroxyphenylamide voltage-gated sodium channel blocker in human prostate cancer xenografts
  作者：Gary C. Davis、Yali Kong、Mikell Paige、Zhang Li、Ellen C. Merrick、Todd Hansen、Simeng Suy、Kan Wang、Sivanesan Dakshanamurthy、Antoinette Cordova、Owen B. McManus、Brande S. Williams、Maksymilian Chruszcz、Wladek Minor、Manoj K. Patel、Milton L. Brown

  DOI：10.1016/j.bmc.2011.08.061

  日期：2012.3

  α-Hydroxy-α-phenylamides are a new class of small molecules that have demonstrated potent inhibition of voltage-gated sodium channels. The hydroxyamide motif, an isostere of a hydantoin ring, provides an active scaffold from which several potent racemic sodium channel blockers have been derived. With little known about chiral preferences, the development of chiral syntheses to obtain each pure enantiomer

  已知电压门控钠通道在神经元和其他可兴奋细胞中表达。最近，已发现电压门控钠通道在人类前列腺癌细胞中表达。α-羟基-α-苯基酰胺是一类新的小分子，已证明能有效抑制电压门控钠通道。羟基酰胺基序是乙内酰脲环的等排体，提供了一种活性支架，从中衍生出几种有效的外消旋钠通道阻滞剂。由于对手性偏好知之甚少，开发手性合成以获得每种纯对映异构体作为钠通道阻滞剂进行评估很重要。使用 Seebach 和 Frater 的手性模板，( R )-3-氯扁桃酸与新戊醛的环缩合得到顺式- 和反式-2,5-二取代二氧戊环酮。使用该手性模板，我们合成了 2-(3-氯苯基)-2-羟基壬酰胺的两种对映异构体，并评估了它们在功能上抑制 hNa v亚型、人类前列腺癌细胞和异种移植物的能力。铅的对映异构体显示出显着降低体内前列腺癌的能力。
• NA CHANNELS, DISEASE, AND RELATED ASSAYS AND COMPOSITIONS
  申请人：Brown Milton L.

  公开号：US20110230442A1

  公开（公告）日：2011-09-22

  Disclosed are molecules and their synthesis, for use in blocking gated ion channels such as voltage-gated sodium channels (VGSCs) and prostate voltage sodium channels (PVSCs). These inhibitors have superior blocking efficacy, for instance in displacing the radioligand [ 3 H]-Batrachotoxin-B ([ 3 H]-BTX-B) that binds to site 2 of a VGSC. The molecules of the invention comprise a moiety which increases the binding affinity of molecules for the protein binding site in prostate cancer cells (PCs), and which is also fluorescent. In one embodiment the invention molecules are an inhibition system that can be used to target over-abundant or hyperactive VGSCs selectively in pain, epilepsy or prostate cancer, inhibiting the proliferation of PCs. The fluorescent moiety also facilitates screening, tracking, and pharmacodynamic studies of the drug in a biological system both in vitro and in vivo.

  本发明涉及分子及其合成，用于阻断门控离子通道，例如电压门控钠通道（VGSC）和前列腺电压钠通道（PVSC）。这些抑制剂具有卓越的阻断效力，例如在取代结合到VGSC的位点2的放射性配体[3H]-Batrachotoxin-B ([3H]-BTX-B)方面。本发明的分子包括一个基团，增加分子对前列腺癌细胞（PC）中蛋白质结合位点的结合亲和力，并且也是荧光的。在一种实施方式中，本发明的分子是一种抑制系统，可用于选择性地靶向过度丰富或过度活跃的VGSC，从而抑制疼痛、癫痫或前列腺癌的PC的增殖。荧光基团还有助于在体外和体内生物系统中筛选、跟踪和药效学研究药物。
• Thermally Responsive Selenide‐containing Materials Based on Transalkylation of Selenonium Salts
  作者：Sisi Chen、Vincent Scholiers、Mengyao Zhang、Jiandong Zhang、Jian Zhu、Filip E. Du Prez、Xiangqiang Pan

  DOI：10.1002/anie.202309652

  日期：2023.12.4

  A thermally responsive C−Se dynamic covalent chemistry (DCC) that relies on the transalkylation between selenonium salts and selenides can be easily achieved by adding alkylation reagents to the selenide compounds. By incorporating selenonium salts into polyurethane networks, we observed that the materials exhibited good healing ability at elevated temperatures as well as solvent and creep resistance

  通过向硒化物中添加烷基化试剂，可以轻松实现依赖于硒盐和硒化物之间烷基转移的热响应 C−Se 动态共价化学 (DCC)。通过将硒盐纳入聚氨酯网络，我们观察到该材料在高温下表现出良好的愈合能力，在环境温度下表现出良好的耐溶剂性和抗蠕变性。