benzyl isothiocyanate

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: benzyl isothiocyanate
• 英文别名: Thionitrosomethylbenzene
• 化学式: C₇H₇NS
• 分子量: 137.205
• InChiKey: KYNXRTHNFHLJJS-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3
• 重原子数：
  9
• 可旋转键数：
  1
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.14
• 拓扑面积：
  44.4
• 氢给体数：
  0
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  benzyl isothiocyanate 、 巯基乙酸乙酯 在 碳酸氢钠 作用下， 以 甲醇 、 水 、 溶剂黄146 、 乙酸乙酯 为溶剂， 反应 15.0h， 以98%的产率得到3-苄基若丹宁
  参考文献：
  名称：

  [EN] RHODANINE DERIVATIVES AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM
  [FR] DERIVES DE RHODANINE ET COMPOSITIONS PHARMACEUTIQUES LES CONTENANT

  摘要：

  这项发明描述了罗丹宁衍生物和制药组合物，可用作泛素化抑制剂。该发明的化合物和组合物可用作参与泛素化的生物体的生化途径的抑制剂。特别地，这些化合物和组合物可用于治疗细胞增殖性疾病，如癌症。

  公开号：

  WO2004043955A1

文献信息

• AROMATIC SULPHONYLIMIDES, PREPARATION THEREOF AND USE THEREOF AS ELECTROLYTE
  申请人：Sanchez Jean-Yves

  公开号：US20100174113A1

  公开（公告）日：2010-07-08

  The invention relates to a process for preparing aromatic sulphonylimides, to the sulphonylimides obtained, and to the use thereof as salt of an electrolyte. The sulphonylimides correspond to the formula [R—SO 2 —N—SO 2 R′] r M (I). R′ is an ArZL- group. R′ is a perfluoroalkyl group or an ArZL- group. Z is an S, SO or SO 2 group. L is a —(CF 2 ) n —CFR f — group. n is 0 or 1; R f represents F or a C 1 to C 8 perfluoroalkyl group; Ar is an aromatic group. M represents H, an alkali metal cation, an alkaline earth metal cation, a trivalent or tetravalent metal cation, or an organic cation. The process consists in preparing a compound RSO2N(R′)SO2R′ from RSO 2 F, and in replacing the group R′ by nucleophilic substitution reaction so as to obtain the compound (I), R′ being a benzyl or trimethylsilyl group.

  该发明涉及一种制备芳香磺酰亚胺的方法，所得的磺酰亚胺以及将其用作电解质盐。磺酰亚胺对应于式[R—SO2—N—SO2R′]rM（I）。R′是ArZL-基团。R′是全氟烷基基团或ArZL-基团。Z是S、SO或SO2基团。L是—(CF2)n—CFRf—基团。n为0或1；Rf代表F或C1到C8的全氟烷基基团；Ar是芳香族基团。M代表H、碱金属阳离子、碱土金属阳离子、三价或四价金属阳离子或有机阳离子。该方法包括从RSO2F制备化合物RSO2N(R′)SO2R′，并通过亲核取代反应将基团R′替换为以获得化合物（I），其中R′是苄基或三甲基硅基团。
• [EN] THIADIAZOLIDINONES AS GSK-3 INHIBITORS<br/>[FR] THIADIAZOLIDINONES EN TANT QU'INHIBITEURS DE LA GSK-3
  申请人：NEUROPHARMA SA

  公开号：WO2005097117A1

  公开（公告）日：2005-10-20

  Provided are thiadiazolidine compounds of Formula (I) wherein R1 is an organic group having at least 8 atoms selected from C or O, which is not linked directly to the N through a -C(O)- and comprising at least an aromatic ring, and their pharmaceutical compositions. These compounds are selective GSK-3 inhibitors and have improved bioavailability. They are useful for the treatment of GSK-3 mediated diseases, among others Alzheimer's disease, type II diabetes, depression and brain injury.

  提供的是式（I）的噻二唑烷化合物，其中R1是有机基团，至少有8个原子，选择自C或O，不通过-C（O）-直接连接N，并包括至少一个芳香环，以及它们的药物组成物。这些化合物是选择性的GSK-3抑制剂，并具有改善的生物利用度。它们对于治疗GSK-3介导的疾病非常有用，包括阿尔茨海默病、2型糖尿病、抑郁症和脑损伤等。
• RHODANINE COMPOSITIONS FOR USE AS ANTIVIRAL AGENTS
  申请人：Singh Rajinder

  公开号：US20090137644A1

  公开（公告）日：2009-05-28

  This invention describes compounds and pharmaceutical compositions useful as inhibitors of ubiquitination. The compounds and compositions of the invention are useful as inhibitors of the biochemical pathways of organisms in which ubiquitination is involved. In particular, the compounds and compositions are useful for treating diseases caused by viruses such as poxviruses and retroviruses. The invention further provides for methods of treating smallpox, Herpes virus and HIV infection in patients using the compounds and compositions of the invention.

  这项发明描述了化合物和制药组合物，可用作泛素化抑制剂。该发明的化合物和组合物可用作生物体中泛素化参与的生化途径的抑制剂。特别是，该化合物和组合物可用于治疗由病毒引起的疾病，如痘病毒和逆转录病毒。该发明还提供了使用该化合物和组合物治疗天花、疱疹病毒和HIV感染患者的方法。
• [EN] INHIBITORS OF PDEDELTA<br/>[FR] INHIBITEURS DE PDEDELTA
  申请人：UNIV LUXEMBOURG

  公开号：WO2022079226A1

  公开（公告）日：2022-04-21

  The present invention relates to compounds which show activity as PDEdelta/PDE6D Inhibitors and pharmaceutical compositions comprising these compounds, their use in medicine as well as their use in the treatment of cancer.

  本发明涉及一种作为PDEδ/PDE6D抑制剂的化合物，以及包含这些化合物的制药组合物，它们在医学上的使用以及它们在癌症治疗中的使用。
• PROCESSES OF PREPARING ESTOLIDE COMPOUNDS THAT INCLUDE REMOVING SULFONATE RESIDUES
  申请人：Biosynthetic Technologies, LLC

  公开号：EP3181666A1

  公开（公告）日：2017-06-21

  Provided herein are processes of preparing sulfonated estolide compounds, and the removal of sulfonate residues from those compounds to provide desulfonated estolide base oils. Exemplary sulfonated estolide compounds include those selected from the formula: wherein z is an integer selected from 0 to 15; q is an integer selected from 0 to 15; x is, independently for each occurrence, an integer selected from 0 to 20; y is, independently for each occurrence, an integer selected 0 to 20; n is equal to or greater than 0; R6 is selected from -OH, optionally substituted alkyl, and optionally substituted aryl; and R2 is selected from hydrogen and optionally substituted alkyl that is saturated or unsaturated, and branched or unbranched, wherein each fatty acid chain residue of said compounds is independently optionally substituted.

  本文提供了磺化雌内酯化合物的制备工艺，以及从这些化合物中去除磺酸盐残留物以提供脱磺化雌内酯基础油的工艺。示例性磺化雌内酯化合物包括那些选自式 其中，z 是选自 0 至 15 的整数；q 是选自 0 至 15 的整数；x 在每次出现时独立地是选自 0 至 20 的整数；y 在每次出现时独立地是选自 0 至 20 的整数；n 等于或大于 0；R6 选自-OH、任选取代的烷基和任选取代的芳基；R2 选自氢和任选取代的饱和或不饱和、支链或未支链的烷基，其中所述化合物的每个脂肪酸链残基独立地任选取代。