2-aminobenzylmercaptane | 95539-66-5

• 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: 2-aminobenzylmercaptane
• 英文别名: (2-amino-phenyl)-methanethiol；(2-Amino-phenyl)-methanthiol；2-Amino-thiobenzylalkohol；2-Amino-benzylmercaptan；(2-Aminophenyl)methanethiol
• CAS: 95539-66-5
• 化学式: C₇H₉NS
• mdl: MFCD19204312
• 分子量: 139.221
• InChiKey: SKLZTWWBEAOCPB-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.3
• 重原子数：
  9
• 可旋转键数：
  1
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.142
• 拓扑面积：
  27
• 氢给体数：
  2
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  2-aminobenzylmercaptane 在 甲醇 、 sodium hydroxide 、 碘 、 potassium iodide 作用下， 生成 benzo[c]isothiazole
  参考文献：
  名称：

  Goerdeler; Kandler, Chemische Berichte, 1959, vol. 92, p. 1679,1693

  摘要：

  DOI：
• 作为产物：
  描述：

  alkaline earth salt of/the/ methylsulfuric acid 在 sodium hydroxide 作用下， 生成 2-aminobenzylmercaptane
  参考文献：
  名称：

  Kitamura, Yakugaku Zasshi/Journal of the Pharmaceutical Society of Japan, 1937, vol. 57, p. 97,105; dtsch. Ref. S. 51

  摘要：

  DOI：

文献信息

• Preparation of Novel Polycyclic Heterocycles Using a Tin(II) Chloride Dihydrate-Mediated Deacetalisation-Bicyclisation Sequence
  作者：Richard Taylor、Alex Cayley、Katherine Gallagher、Cécilia Ménard-Moyon、Jan Schmidt、Louis Diorazio

  DOI：10.1055/s-0028-1083214

  日期：2008.12

  Tin(II) chloride dihydrate-mediated deacetalisation- bicyclisation procedures for the construction of novel polycyclic heterocycles from amides possessing a pendant acetal group are re- ported. Optimisation and scoping studies are described; using this methodology, a range of known, and novel, ring-fused heterocyclic systems have been prepared, some in enantiomerically pure form.

  报道了二水合氯化锡（II）介导的脱缩醛化-双环化过程，用于从具有侧缩缩醛基团的酰胺构建新型多环杂环。描述了优化和范围研究；使用这种方法，已经制备了一系列已知的和新颖的稠环杂环系统，其中一些是对映体纯的形式。
• [EN] PYRAZINE DERIVATIVES USEFUL AS INHIBITORS OF ATR KINASE<br/>[FR] DÉRIVÉS PYRAZINES UTILES EN TANT QU'INHIBITEURS D'ATR KINASE
  申请人：VERTEX PHARMA

  公开号：WO2010071837A1

  公开（公告）日：2010-06-24

  The present invention relates to pyrazine compounds useful as inhibitors of ATR protein kinase. The invention also relates to pharmaceutically acceptable compositions comprising the compounds of this invention; methods of treating of various diseases, disorders, and conditions using the compounds of this invention; processes for preparing the compounds of this invention; intermediates for the preparation of the compounds of this invention; and methods of using the compounds in in vitro applications, such as the study of kinases in biological and pathological phenomena; the study of intracellular signal transduction pathways mediated by such kinases; and the comparative evaluation of new kinase inhibitors. The compounds of this invention have formula (I):wherein the variables are as defined herein.

  本发明涉及对ATR蛋白激酶具有抑制作用的吡嗪化合物。该发明还涉及包括本发明的化合物的药用可接受组合物；使用本发明的化合物治疗各种疾病、紊乱和症状的方法；制备本发明的化合物的方法；用于制备本发明的化合物的中间体；以及在体外应用中使用化合物的方法，例如在生物和病理现象中研究激酶、介导激酶的细胞内信号传导途径的研究以及新激酶抑制剂的比较评估。本发明的化合物具有如下式(I)的结构，其中变量如本文所定义。
• Synthesis and antibacterial evaluation of [1,3]benzothiazino[3,2-a]quinoline- and [3,1]benzothiazino[1,2-a]quinoline-6-carboxylic acid derivatives
  作者：Violetta Cecchetti、Gabriele Cruciani、Enrica Filipponi、Arnaldo Fravolini、Oriana Tabarrini、Tao Xin

  DOI：10.1016/s0968-0896(97)00084-9

  日期：1997.7

  A series of [1,3]benzothiazino[3,2-a]quinoline- (5) and [3,1]benzothiazino[1,2-a]quinoline-6-carboxylic acids (10) were synthesized and evaluated for their in vitro antibacterial activity. The activity is discussed in terms of their structural features revealed by molecular orbital correlation.

  合成了一系列[1,3]苯并噻嗪[3,2-a]喹啉-（5）和[3,1]苯并噻嗪[1,2-a]喹啉-6-羧酸（10）并对其进行了评估体外抗菌活性。根据分子轨道相关揭示的结构特征讨论了该活性。
• COMPOUNDS USEFUL AS INHIBITORS OF ATR KINASE
  申请人：Vertex Pharmaceuticals Incorporated

  公开号：US20160311809A1

  公开（公告）日：2016-10-27

  The present invention relates to pyrazine compounds useful as inhibitors of ATR protein kinase. The invention also relates to pharmaceutically acceptable compositions comprising the compounds of this invention; methods of treating of various diseases, disorders, and conditions using the compounds of this invention; processes for preparing the compounds of this invention; intermediates for the preparation of the compounds of this invention; and methods of using the compounds in in vitro applications, such as the study of kinases in biological and pathological phenomena; the study of intracellular signal transduction pathways mediated by such kinases; and the comparative evaluation of new kinase inhibitors. The compounds of this invention have formula I: wherein the variables are as defined herein.

  本发明涉及一种吡嗪化合物，可用作ATR蛋白激酶的抑制剂。本发明还涉及包含本发明化合物的药学上可接受的组合物；使用本发明化合物治疗各种疾病、疾病和病状的方法；制备本发明化合物的方法；用于制备本发明化合物的中间体；以及在体外应用中使用化合物的方法，例如研究生物和病理现象中的激酶，介导这些激酶的细胞内信号转导途径的研究以及新激酶抑制剂的比较评估。本发明化合物具有式I，其中变量如本文所定义。
• 1,3,5-Trisubstituted 2(1H)-pyridones as AMPA receptor inhibitors useful for the treatment of eg Parkinson's disease
  申请人：Eisai R&D Management Co., Ltd.

  公开号：EP2053041A2

  公开（公告）日：2009-04-29

  The present invention provides a novel compound having an excellent AMPA receptor inhibitory action and/or kainate inhibitory action. A compound represented by the following formula, a salt thereof or hydrates thereof. In the formula, Q indicates NH, O or S; and R1, R2, R3, R4 and R5 are the same as or different from each other and each indicates hydrogen atom, a halogen atom, a C1-6alkyl group or a group represented by the formula -X-A (wherein X indicates a single bond, an optionally sbutituted C1-6 alkylene group etc.; and A indicates an optionally substituted C6-14 aromatic hydrocarbocyclic group or 5- to 14-membered aromatic heterocyclic group etc.).

  本发明提供了一种新的化合物，具有出色的AMPA受体抑制作用和/或kainate抑制作用。该化合物由以下公式所表示，其盐或水合物。在公式中，Q表示NH，O或S; R1、R2、R3、R4和R5相同或不同，每个表示氢原子、卤原子、C1-6烷基或由公式-X-A表示的基团（其中X表示单键、可选择的取代C1-6烷基等; A表示可选择的取代C6-14芳香族烃环基或5-至14环芳香族杂环基等）。