S-[2-({[(2-甲基-2-丙基)氧基]羰基}氨基)乙基]硫代乙酸酯 | 114326-10-2

• 分子结构分类: 有机化合物 - 有机酸及其衍生物 - 羧酸及其衍生物
• 中文名称: S-[2-({[(2-甲基-2-丙基)氧基]羰基}氨基)乙基]硫代乙酸酯
• 英文名称: N-(tert-butoxycarbonyl)-2-(acetylthio)ethylamine
• 英文别名: (S-(2-((butoxycarbonyl)amino)ethyl)acetylthio)；S-(2-((tert-Butoxycarbonyl)amino)ethyl) ethanethioate；S-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl] ethanethioate
• CAS: 114326-10-2
• 化学式: C₉H₁₇NO₃S
• 分子量: 219.305
• InChiKey: SYLBKLDSMWKIJJ-UHFFFAOYSA-N

物化性质

• 沸点：
  316.5±25.0 °C(Predicted)
• 密度：
  1.093±0.06 g/cm3(Predicted)
• 溶解度：
  溶于二氯甲烷；乙酸乙酯;甲醇

计算性质

• 辛醇/水分配系数(LogP)：
  1.4
• 重原子数：
  14
• 可旋转键数：
  6
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.78
• 拓扑面积：
  80.7
• 氢给体数：
  1
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  S-[2-({[(2-甲基-2-丙基)氧基]羰基}氨基)乙基]硫代乙酸酯 在 盐酸 作用下， 以 1,4-二氧六环 为溶剂， 反应 3.0h， 以96%的产率得到硫代乙酸S-(2-氨基-乙基)酯盐酸盐
  参考文献：
  名称：

  Synthesis of Conjugated Diacetylene, Metal-Chelating Monomers for Polymerizable Monolayer Assemblies

  摘要：

  [GRAPHICS]Self-assembled monolayers (SAMs) of thiols on gold have been used for numerous applications. For protein targeting applications, one successful strategy is to use a metal chelating SAM. It has also been demonstrated that polymerized SAMs are much more stable than non polymerized counterparts. We report herein, the synthesis of several polymerizable, metal-chelating thiols capable of complexing luminescent lanthanide ions.

  DOI：

  10.1021/ol015931+
• 作为产物：
  描述：

  二碳酸二叔丁酯 在 potassium carbonate 、 三乙胺 作用下， 以 二甲基亚砜 、 甲苯 为溶剂， 反应 13.0h， 生成 S-[2-({[(2-甲基-2-丙基)氧基]羰基}氨基)乙基]硫代乙酸酯
  参考文献：
  名称：

  PROCESS FOR THE PREPARATION OF A SULFUR-AMINE

  摘要：

  本发明涉及一种合成半胱胺或其盐的方法。

  公开号：

  US20180111897A1

文献信息

• Synthesis and evaluation of chloromethyl sulfoxides as a new class of selective irreversible cysteine protease inhibitors
  作者：Arwin J. Brouwer、Anton Bunschoten、Rob M.J. Liskamp

  DOI：10.1016/j.bmc.2007.07.045

  日期：2007.11

  The synthesis and biological evaluation of a new class of selective irreversible cysteine protease inhibitors is described. A set of amino acid based chloromethyl sulfoxides was prepared and they were found to inhibit irreversibly the cysteine protease papain. They were selective for cysteine proteases since no inhibition was found for the serine protease chymotrypsin.

  描述了新型的选择性不可逆半胱氨酸蛋白酶抑制剂的合成和生物学评估。制备了一套基于氨基酸的氯甲基亚砜，发现它们不可逆地抑制半胱氨酸蛋白酶木瓜蛋白酶。由于对丝氨酸蛋白酶胰凝乳蛋白酶没有抑制作用，因此它们对半胱氨酸蛋白酶具有选择性。
• Constrained (l-)-S-adenosyl-l-homocysteine (SAH) analogues as DNA methyltransferase inhibitors
  作者：Ljubomir Isakovic、Oscar M. Saavedra、David B. Llewellyn、Stephen Claridge、Lijie Zhan、Naomy Bernstein、Arkadii Vaisburg、Nadine Elowe、Andrea J. Petschner、Jubrail Rahil、Norman Beaulieu、France Gauthier、A. Robert MacLeod、Daniel Delorme、Jeffrey M. Besterman、Amal Wahhab

  DOI：10.1016/j.bmcl.2009.03.132

  日期：2009.5

  Potent SAH analogues with constrained homocysteine units have been designed and synthesized as inhibitors of human DNMT enzymes. The five membered (2S,4S)-4-mercaptopyrrolidine-2-carboxylic acid, in 1a, was a good replacement for homocysteine, while the corresponding six-member counterpart was less active. Further optimization of 1a, changed the selectivity pro. le of these inhibitors. A Chloro substituent at the 2-position of 1a, compound 1d, retained potency against DNMT1, while N-6 alkylation, compound 7a, conserved DNMT3b2 activity. The concomitant substitutions of 1a at both 2- and N-6 positions reduced activity against both enzymes. (C) 2009 Elsevier Ltd. All rights reserved.
• Synthesis of azocine derivatives from thio aldehyde Diels-Alder adducts
  作者：E. Vedejs、J. S. Stults

  DOI：10.1021/jo00245a019

  日期：1988.5
• VEDEJS, E.;STULTS, J. S., J. ORG. CHEM., 53,(1987) N 10, C. 2226-2232
  作者：VEDEJS, E.、STULTS, J. S.

  DOI：——

  日期：——
• CN115745857
  申请人：——

  公开号：——

  公开（公告）日：——