硫代苯甲酸 S-(2-氨基乙基)酯盐酸盐(1:1) | 17612-90-7

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 中文名称: 硫代苯甲酸 S-(2-氨基乙基)酯盐酸盐(1:1)
• 中文别名: 硫代苯甲酸S-(2-氨基乙基)酯盐酸盐(1:1)
• 英文名称: S-benzoylcysteamine hydrochloride
• 英文别名: S-(2-aminoethyl) benzenecarbothioate;hydrochloride
• CAS: 17612-90-7
• 化学式: C₉H₁₁NOS*ClH
• 分子量: 217.719
• InChiKey: ZGDMMDVDODBJGR-UHFFFAOYSA-N

物化性质

• 熔点：
  167 °C

计算性质

• 辛醇/水分配系数(LogP)：
  1.67
• 重原子数：
  13
• 可旋转键数：
  4
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.222
• 拓扑面积：
  70
• 氢给体数：
  1
• 氢受体数：
  3

安全信息

• 海关编码：
  2930909090

反应信息

• 作为反应物：
  描述：

  硫代苯甲酸 S-(2-氨基乙基)酯盐酸盐(1:1) 在 二硫化碳 、 ammonium hydroxide 作用下， 生成 N-(2-mercaptoethyl)benzamide
  参考文献：
  名称：

  抗辐射化合物I

  摘要：

  已经制备了一系列β-巯基乙胺（MEA）的S-酰基衍生物，以试图提供在动物细胞中具有防止电离辐射的保护作用并且比MEA本身毒性小的化合物。通常，在某些酯类中，对动物的毒性降低，并且对X射线具有良好的防护能力。还制备了MEA的二硫代氨基甲酸，但是尝试酰化该化合物，该化合物在接近小鼠毒性剂量水平时显示出良好的抗辐射作用，产生了多种分解产物。

  DOI：

  10.1002/jps.2600510219
• 作为产物：
  描述：

  S-(2-((tert-butoxycarbonyl)amino)ethyl) benzothioate 在 盐酸 作用下， 以 乙酸乙酯 为溶剂， 生成 硫代苯甲酸 S-(2-氨基乙基)酯盐酸盐(1:1)
  参考文献：
  名称：

  "Inverse" type of synthetic inhibitors of trypsin, S-.OMEGA.-aminoalkyl thioesters.

  摘要：

  一系列ω-氨基烷基硫代苯甲酸酯对胰蛋白酶的抑制作用与ω-氨基烷基苯甲酸酯进行了比较。在评估的硫代酯类中，S-4-氨基丁基和S-5-氨基戊基硫代苯甲酸酯是新型“逆向”类型的最具前景的可逆抑制剂，其抑制顺序可与苯甲脒相媲美。

  DOI：

  10.1248/cpb.31.3360

文献信息

• Novel antioxidants, preparation processes and their uses
  申请人：——

  公开号：US20040158092A1

  公开（公告）日：2004-08-12

  The invention concerns a process for preparing compounds of general formula (I) 1 wherein R and R′ represent an alkyl radical or an aryl group; and R″ is hydrogen or a CO—R 1 group wherein R 1 is an alkyl radical or an aryl group; and wherein these compounds are or not in the thiazolidine form; by protecting the N-acyl-L-cysteine to form an intermediate compound; and then by coupling said intermediate compound with S-acylcysteamine hydrochloride or with thiazolidine.

  这项发明涉及一种制备一般式（I）的化合物的过程 其中R和R′代表烷基基团或芳基；而R″是氢或CO—R 1 基团，其中R 1 是烷基基团或芳基；这些化合物是或不是以噻唑烷形式存在；通过保护N-酰基-L-半胱氨酸形成中间化合物；然后通过将该中间化合物与S-酰基半胱氨酸盐酸盐或噻唑烷偶联。
• Mucolytic benzene and thiophene-carbothioic acid 2-aminoalkyl ester acid
  申请人：A. H. Robins Company, Inc.

  公开号：US04296092A1

  公开（公告）日：1981-10-20

  Benzene and 2-thiophene carbothioic and 2-aminoalkyl ester acid salts having the formula: ##STR1## wherein R is 2-thiophene, benzene or substituted benzene; n is 2 and 3 and X.sup.- is a chlorine or bromine radical and methods of using the compounds and compositions are disclosed.

  本发明涉及苯和2-噻吩羧硫和2-氨基烷基酯酸盐，其化学式为：##STR1## 其中R为2-噻吩，苯或取代苯；n为2和3，X.sup.-为氯或溴基，以及使用该化合物和组合物的方法。
• Antioxidants, preparation processes and their uses
  申请人：Oiry Joel

  公开号：US06979747B2

  公开（公告）日：2005-12-27

  The invention concerns a process for preparing compounds of general formula (I) wherein R and R′ represent an alkyl radical or an aryl group; and R″ is hydrogen or a CO—R 1 group wherein R 1 is an alkyl radical or an aryl group; and wherein these compounds are or not in the thiazolidine form; by protecting the N-acyl-L-cysteine to form an intermediate compound; and then by coupling said intermediate compound with S-acylcysteamine hydrochloride or with thiazolidine.

  本发明涉及一种制备一般式（I）化合物的方法，其中R和R'代表烷基基团或芳基基团；而R"是氢或CO-R1基团，其中R1是烷基基团或芳基基团；这些化合物是否处于噻唑烷形式。该方法通过保护N-酰基-L-半胱氨酸形成中间化合物，然后通过与S-酰基半胱氨酸盐酸盐或噻唑烷偶联来制备所述中间化合物。
• Antioxidants, preparation methods and uses
  申请人：Centre National de la Recherche Scientifique (CNRS)

  公开号：US06989372B1

  公开（公告）日：2006-01-24

  The invention concerns compounds of general formula (I) (wherein R and R′ represent an alkyl radical or an aryl group and R″ is hydrogen or a CO—R1 group wherein R1 is an alkyl radical or an aryl group; and the dimers formed by the disulphide bond from one and/or the other of the two sulphur atoms of the compounds of general formula (I); and the corresponding thiazolidin forms), the methods for preparing them and uses thereof. More particularly, it concerns the use of said compounds as antioxidant agents, in particular for preparing medicines designed to increase the intracellular and/or extracellular level of glutathione (GSH).

  本发明涉及通式（I）化合物（其中R和R'代表烷基或芳基基团，R"是氢或CO-R1基团，其中R1是烷基或芳基基团；以及由通式（I）化合物的两个硫原子中的一个或另一个形成的二硫键所形成的二聚体；以及相应的噻唑烷形式），其制备方法和用途。更具体地，涉及使用所述化合物作为抗氧化剂，特别是用于制备旨在增加谷胱甘肽（GSH）细胞内和/或细胞外水平的药物。
• Synthesis of new N-isobutyryl-l-cysteine/MEA conjugates: Evaluation of their free radical-scavenging activities and anti-HIV properties in human macrophages
  作者：Michael Smietana、Pascal Clayette、Patricia Mialocq、Jean-Jacques Vasseur、Joël Oiry

  DOI：10.1016/j.bioorg.2008.02.001

  日期：2008.6

  Four novel N-isobutyryl-L-cysteine/2-mercaptoethylamine (MEA, cysteamine) conjugates have been designed and synthesized. The antioxidant activities of these new series were evaluated by three different free radical scavenging methods (DPPH test, ABTS test, and deoxyribose assay) and their metal binding capacity was evaluated by the ethidium bromide fluorescence binding assay. These results were compared with those obtained with their pro-GSH acetyl analogues recently developed in our laboratory. We observed that most of these compounds exhibit free radical-scavenging activities similar to those of Trolox, but always superior than NAC. While none of these new derivatives had pro-GSH activities, they displayed anti-HIV properties in human monocyte-derived macrophages infected in vitro. The present study demonstrates that these new N-isobutyryl derivatives, which are expected to have a greater bioavailability than their acetyl analogues, may have useful applications in HIV infection in respect to their antioxidant and anti-HIV activities. (C) 2008 Elsevier Inc. All rights reserved.