S-(2-aminoethyl) 2,2-dimethylpropanethioate hydrochloride | 104071-95-6

• 分子结构分类: 有机化合物 - 有机酸及其衍生物 - 硫代羧酸及其衍生物
• 英文名称: S-(2-aminoethyl) 2,2-dimethylpropanethioate hydrochloride
• 英文别名: S-pivaloylcysteamine hydrochloride；S-(2-aminoethyl) 2,2-dimethylpropanethioate;hydrochloride
• CAS: 104071-95-6
• 化学式: C₇H₁₅NOS*ClH
• 分子量: 197.729
• InChiKey: JVQQEGLCEOSZGU-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.67
• 重原子数：
  11
• 可旋转键数：
  4
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.86
• 拓扑面积：
  68.4
• 氢给体数：
  2
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  S-(2-aminoethyl) 2,2-dimethylpropanethioate hydrochloride 在 六氯环三磷腈 、 氢溴酸 、 溶剂黄146 、 三乙胺 作用下， 以 四氢呋喃 为溶剂， 反应 0.5h， 生成 [2-[2-(2,2-Dimethylpropanoylsulfanyl)ethylamino]-2-oxoethyl]azanium;bromide
  参考文献：
  名称：

  Synthesis and radioprotective activity of new cysteamine and cystamine derivatives

  摘要：

  A variety of N-(aminoalkanoyl)-S-acylcysteamine and N,N'-bis(aminoalkanoyl)cystamine salt derivatives were synthesized. Toxicity and radioprotective activity (as the dose reduction factor DRF) were determined in vivo on mice and compared to WR 2721 and S-acetylcysteamine hydrochloride. One of the most interesting compounds of this series was N-glycyl-S-acetylcysteamine trifluoroacetate (16, I 102). Structure-activity relationships are discussed.

  DOI：

  10.1021/jm00161a015
• 作为产物：
  描述：

  半胱胺盐酸盐 、 三甲基乙酰氯 在 乙醚 、 N,N-二甲基甲酰胺 、 expected compound 作用下， 反应 0.25h， 生成 S-(2-aminoethyl) 2,2-dimethylpropanethioate hydrochloride
  参考文献：
  名称：

  3',5'-CYCLIC PHOSPHORAMIDATE PRODRUGS FOR HCV INFECTION

  摘要：

  本文提供了用于治疗黄病毒科感染的化合物、组合物和方法，包括HCV感染。在某些实施例中，披露了核苷衍生物的化合物和组合物，可以单独或与其他抗病毒药物联合使用。

  公开号：

  US20130315866A1

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。
• 3′,5′-cyclic phosphoramidate prodrugs for HCV infection
  申请人：Idenix Pharmaceuticals, Inc.

  公开号：US09109001B2

  公开（公告）日：2015-08-18

  Provided herein are compounds, compositions and methods for the treatment of Flaviviridae infections, including HCV infections. In certain embodiments, compounds and compositions of nucleoside derivatives are disclosed, which can be administered either alone or in combination with other anti-viral agents.

  本文提供了用于治疗黄病毒科感染，包括HCV感染的化合物、组合物和方法。在某些实施例中，披露了核苷衍生物的化合物和组合物，可以单独或与其他抗病毒药物联合使用。
• 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.