2H-1,4-苯并噁嗪-3(4H)-硫酮 | 14183-51-8

• 物质功能分类: 医药中间体 - 吡啶类化合物
• 分子结构分类: 有机化合物 - 有机杂环化合物 - 苯并恶嗪类
• 中文名称: 2H-1,4-苯并噁嗪-3(4H)-硫酮
• 中文别名: 2-氯-6-氰基吡啶
• 英文名称: 2H-1,4-benzoxazin-3(4H)-thione
• 英文别名: 3,4-dihydro-2H-1,4-benzoxazine-3-thione；2H-1,4-benzoxazine-3(4H)-thione；2H-1,4-Benzoxazin-3(4H)-thion；1,4-benzoxazine-3-thione；benzoxazin-3(4H)-thione；T 2090；4H-1,4-benzoxazine-3-thione
• CAS: 14183-51-8
• 化学式: C₈H₇NOS
• mdl: MFCD00269330
• 分子量: 165.216
• InChiKey: MFPHAWZIKUKQOU-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.5
• 重原子数：
  11
• 可旋转键数：
  0
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.125
• 拓扑面积：
  53.4
• 氢给体数：
  1
• 氢受体数：
  2

安全信息

• 危险品标志：
  Xi

反应信息

• 作为反应物：
  描述：

  2H-1,4-苯并噁嗪-3(4H)-硫酮 在 硫酸 、 硝酸 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 反应 8.0h， 生成 ZINC02150493
  参考文献：
  名称：

  Shridhar, D. R.; Jogibhukta, M.; Krishnan, V. S. H., Indian Journal of Chemistry - Section B Organic and Medicinal Chemistry, 1984, vol. 23, # 12, p. 1279 - 1283

  摘要：

  DOI：
• 作为产物：
  描述：

  2H-1,4-苯并噁嗪-3(4H)-酮 在 tetraphosphorus decasulfide 作用下， 以 xylene 为溶剂， 生成 2H-1,4-苯并噁嗪-3(4H)-硫酮
  参考文献：
  名称：

  1,4-苯并恶嗪的研究Ⅰ：一些2 H -1,4-苯并恶嗪-3-硫酮的制备，结构，反应和光谱数据

  摘要：

  新制备了几种2 H -1,4-苯并恶嗪-3-硫酮。UV，IR和NMR研究表明，这些潜在的互变异构化合物中主要的互变异构体是硫内酰胺形式。甲基化产生S-Me而不是N-Me衍生物。NMR光谱可用于区分异构的苯并恶嗪结构之间以及杂环中的环外和环内双键。已经使用水合肼，吗啉，环己胺和苯胺对2 H -1,4-苯并恶嗪-3-硫酮及其S-Me和N-Me衍生物进行了亲核取代反应。在每种情况下，都已使用NMR确定反应产物的结构。

  DOI：

  10.1016/s0040-4020(01)83262-2

文献信息

• ORGANIC COMPOUNDS
  申请人：Breitenstein Werner

  公开号：US20090233920A1

  公开（公告）日：2009-09-17

  The invention relates to 3,5-substituted piperidine compounds, these compounds for use in the diagnostic and therapeutic treatment of a warm-blooded animal, especially for the treatment of a disease (=disorder) that depends on activity of renin; the use of a compound of that class for the preparation of a pharmaceutical formulation for the treatment of a disease that depends on activity of renin; the use of a compound of that class in the treatment of a disease that depends on activity of renin; pharmaceutical formulations comprising a 3,5-substituted piperidine compound, and/or a method of treatment comprising administering a 3,5-substituted piperidine compound, a method for the manufacture of a 3,5-substituted piperidine compound, and novel intermediates and partial steps for its synthesis. The preferred compounds (which can also be present as salts) have the formula I wherein R1, R2, T, R3 and R4 are as defined in the specification.

  该发明涉及3,5-取代哌啶化合物，这些化合物用于诊断和治疗温血动物，特别是用于治疗依赖肾素活性的疾病（=紊乱）；该类化合物用于制备用于治疗依赖肾素活性疾病的药物配方；该类化合物用于治疗依赖肾素活性的疾病；包括3,5-取代哌啶化合物的药物配方，和/或包括给予3,5-取代哌啶化合物的治疗方法，一种用于制造3,5-取代哌啶化合物的方法，以及其合成的新中间体和部分步骤。优选的化合物（也可以存在为盐）具有式I的结构，其中R1、R2、T、R3和R4如规范中定义。
• 8-AZABICYCLO[3.2.1]OCTANE-8-CARBOXAMIDE DERIVATIVE
  申请人：Horiuchi Yoshihiro

  公开号：US20120225876A1

  公开（公告）日：2012-09-06

  Disclosed is a compound represented by formula (1) or a pharmacologically acceptable salt thereof (In the formula, A represents a group that is represented by formula (A-1); R 1a and R 1b may be the same or different and each independently represents a C 1-6 alkyl group which may be substituted by one to three halogen atoms; m and n each independently represents an integer of 0-5; X 1 represents a hydroxyl group or an aminocarbonyl group; Z 1 represents a single bond or the like; and R 2 represents an optionally substituted C 1-6 alkyl group, an optionally substituted C 6-10 aryl group or the like.)

  公开了一种由公式(1)表示的化合物或其药理可接受的盐(在公式中，A代表由公式(A-1)表示的基团；R1a和R1b可以相同或不同，每个独立地表示一个可以由一个到三个卤素原子取代的C1-6烷基；m和n各自独立地表示0-5之间的整数；X1代表羟基或氨基甲酰基；Z1代表单键等；R2代表一个可选地取代的C1-6烷基，一个可选地取代的C6-10芳基等)。
• Benzothiazinone and benzoxazinone compounds
  申请人：Abbott GmbH & Co. KG

  公开号：US07049312B1

  公开（公告）日：2006-05-23

  Q is —N=or CR2 X is S, O or NOR3 Y is —O—, —S—, —SO— or —SO2— R and R1 are each, independently, H, a substituted or unsubstituted aliphatic, aromatic, heteroaromatic or aralkyl group R2 is H or a substituent R3 is H, or —C(O)R4 R4 is a substituted or unsubstituted aliphatic or aromatic group n is an integer from 0 to 1 Chemical compounds having structural formula I and physiologically acceptable salts thereof, are inhibitors of serine/threonine and tyrosine kinase activity. Several of the tyrosine kinases, whose activity is inhibited by these chemical compounds, are involved in angiogenic processes. Thus, these chemical compounds can ameliorate disease states where angiogenesis or endothelial cell hyperproliferation is a factor. These compounds can be used to treat cancer and hyperproliferative disorders.

  Q是-N=或CR2 X是S，O或NOR3 Y是-O-，-S-，-SO-或-SO2-R和R1分别是H，一个取代或未取代的脂肪族，芳香族，杂环芳香族或芳基烃基团R2是H或一个取代基R3是H，或-C(O)R4 R4是一个取代或未取代的脂肪族或芳香族团n是从0到1的整数具有结构式I和其生理上可接受的盐的化合物，是丝氨酸/苏氨酸激酶和酪氨酸激酶活性的抑制剂。这些化合物抑制的几种酪氨酸激酶参与血管生成过程。因此，这些化合物可以改善血管生成或内皮细胞过度增殖是因素的疾病状态。这些化合物可用于治疗癌症和过度增殖性疾病。
• Synthesis, Characterization and Antifungal Evaluation of Novel 2H-1,4-Benzoxazin-3(4H)-one Derivatives Linked with a 1,2,3-Triazole Moiety
  作者：Yuqin Jiang、Longfei Mao、Lin Zhu、Baoqi Ren、Wei Li、Guiqing Xu

  DOI：10.5560/znb.2014-3218

  日期：2014.1.1

  In order to obtain novel bioactive compounds with significant antifungal activities, a series of 2H-1,4-benzoxazin-3(4H)-one analogs linked with a 1,2,3-triazole moiety have been designed and synthesized via click reactions in a one-pot process at room temperature using CuCl as the catalyst. Their antifungal activities were tested against two plant-pathogenic fungi, Rhizoctonia cerealis (RC) and Colletotrichum

  为了获得具有显着抗真菌活性的新型生物活性化合物，设计并通过点击反应合成了一系列与 1,2,3-三唑部分相连的 2H-1,4-benzoxazin-3(4H)-one 类似物。在室温下使用 CuCl 作为催化剂的一锅法。测试了它们对两种植物病原真菌、谷丝核菌 (RC) 和辣椒炭疽菌 (CC) 的抗真菌活性。统计分析表明，在所测试的化合物中，特别是化合物 3a 对 RC 和 CC 均表现出显着的生长抑制活性。所有合成的化合物均已通过 IR、HRMS 和 NMR 实验进行表征。与 1,2,3-三唑部分相连的新型 2H-1,4-Benzoxazin-3(4H)-one 衍生物的图形摘要合成、表征和抗真菌评价
• Substituted Piperdines as Renin Inhibitors
  申请人：Ehara Takeru

  公开号：US20090137566A1

  公开（公告）日：2009-05-28

  The invention relates to substituted 3,4- or higher substituted piperididine compounds, the use thereof for the preparation of a pharmaceutical formulation for the treatment of a disease that depends on activity of renin; the use of a compound of that class in the treatment of a disease that depends on activity of renin; these compounds for use in the diagnostic and therapeutic treatment of a warm-blooded animal, especially for the treatment of a disease (=disorder) that depends on activity of renin; pharmaceutical formulations or products comprising said compounds, and/or a method of treatment comprising administering said compounds, a method for the manufacture of said compounds, as well as novel intermediates, starting materials and/or partial steps for their synthesis. The compounds preferably have the formula I, wherein the moieties R1, R2, R11 and W are as defined in the specification.

  该发明涉及替代的3,4-或更高替代的哌啶基化合物，其用于制备用于治疗依赖肾素活性的疾病的药物配方；该类化合物在治疗依赖肾素活性的疾病中的应用；这些化合物用于诊断和治疗温血动物，特别是用于治疗依赖肾素活性的疾病的治疗；包括上述化合物的药物配方或产品，以及/或包括上述化合物的给药方法，制备上述化合物的方法，以及用于其合成的新中间体、起始材料和/或部分步骤。这些化合物优选具有公式 I，其中基团 R1、R2、R11 和 W 如规范中所定义。