2-(甲基磺酰基)硫代乙酰胺 | 53300-47-3

• 分子结构分类: 有机化合物 - 有机硫化合物 - 磺酰类
• 中文名称: 2-(甲基磺酰基)硫代乙酰胺
• 英文名称: 2-(methylsulfonyl)ethanethioamide
• 英文别名: methylsulfonyl-thioacetamide；2-Methanesulfonylethanethioamide；2-methylsulfonylethanethioamide
• CAS: 53300-47-3
• 化学式: C₃H₇NO₂S₂
• 分子量: 153.226
• InChiKey: SWXPAPNPQXSLMV-UHFFFAOYSA-N

物化性质

• 熔点：
  45-47°C

计算性质

• 辛醇/水分配系数(LogP)：
  -0.9
• 重原子数：
  8
• 可旋转键数：
  2
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.67
• 拓扑面积：
  101
• 氢给体数：
  1
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  15-(2-Bromoacetyl)-9,19-diazapentacyclo[10.7.0.02,6.07,11.013,18]nonadeca-1(12),2(6),7(11),13(18),14,16-hexaene-8,10-dione 、 2-(甲基磺酰基)硫代乙酰胺 以 乙醇 为溶剂， 生成 15-[2-(Methylsulfonylmethyl)-1,3-thiazol-4-yl]-9,19-diazapentacyclo[10.7.0.02,6.07,11.013,18]nonadeca-1(12),2(6),7(11),13(18),14,16-hexaene-8,10-dione
  参考文献：
  名称：

  Novel poly(ADP-ribose) polymerase-1 inhibitors

  摘要：

  Synthesis and activity of a series of 4-thiazol-yl substituted analogs of novel pyrrolocarbazole 1 as poly(ADP-ribose) polymerase-1 (PARP-1) inhibitors have been disclosed. (c) 2006 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2006.10.010

文献信息

• Pyrid-2-one derivatives and methods of use
  申请人：——

  公开号：US20040147561A1

  公开（公告）日：2004-07-29

  Selected compounds are effective for treatment of diseases, such as cell proliferation or apoptosis mediated diseases. The invention encompasses novel compounds, analogs, prodrugs and pharmaceutically acceptable derivatives thereof, pharmaceutical compositions and methods for prophylaxis and treatment of diseases and other maladies or conditions involving stroke, cancer and the like. The subject invention also relates to processes for making such compounds as well as to intermediates useful in such processes.

  所选化合物对于治疗疾病，如细胞增殖或凋亡介导的疾病，具有有效性。该发明涵盖了新颖的化合物、类似物、前药和其药学上可接受的衍生物，以及用于预防和治疗涉及中风、癌症等疾病和其他疾病或病况的药物组合物和方法。该主题发明还涉及制备此类化合物的方法，以及在这些过程中有用的中间体。
• [EN] NAPHTHYRIDINONE DERIVATIVES AS INHIBITORS OF CYTOMEGALOVIRUS DNA POLYMERASE<br/>[FR] DÉRIVÉS DE NAPHTHYRIDINONE EN TANT QU'INHIBITEURS D'ADN POLYMÉRASE DU CYTOMÉGALOVIRUS
  申请人：BOEHRINGER INGELHEIM INT

  公开号：WO2013152063A1

  公开（公告）日：2013-10-10

  Compounds of Formula (I) wherein n, m, R1, R2, R3, R4, R5 and R6 are defined herein, are useful for the treatment of cytomegalovirus disease and/or infection.

  式（I）中n、m、R1、R2、R3、R4、R5和R6的化合物，适用于巨细胞病毒疾病和/或感染的治疗。
• Design and synthesis of quinolin-2(1H)-one derivatives as potent CDK5 inhibitors
  作者：Wenge Zhong、Hu Liu、Matthew R. Kaller、Charles Henley、Ella Magal、Thomas Nguyen、Timothy D. Osslund、David Powers、Robert M. Rzasa、Hui-Ling Wang、Weiya Wang、Xiaoling Xiong、Jiandong Zhang、Mark H. Norman

  DOI：10.1016/j.bmcl.2007.07.045

  日期：2007.10

  Using active site homology modeling between CDK5 and CDK2, we explored several different chemical series of potent CDK5 inhibitors. In this report, we describe the design, synthesis, and CDK5 inhibitory activities of quinolin-2(1H)-one derivatives.

  细胞周期蛋白依赖性激酶5（CDK5）是一种丝氨酸/苏氨酸蛋白激酶，其失调与许多神经退行性疾病（例如阿尔茨海默氏病，肌萎缩性侧索硬化症和缺血性中风）有关。使用CDK5和CDK2之间的活性位点同源性建模，我们探索了有效的CDK5抑制剂的几种不同化学系列。在此报告中，我们描述了喹啉2（1H）-one衍生物的设计，合成和CDK5抑制活性。
• Optimization of Brain Penetrant 11β-Hydroxysteroid Dehydrogenase Type I Inhibitors and in Vivo Testing in Diet-Induced Obese Mice
  作者：Frederick W. Goldberg、Alexander G. Dossetter、James S. Scott、Graeme R. Robb、Scott Boyd、Sam D. Groombridge、Paul D. Kemmitt、Tove Sjögren、Pablo Morentin Gutierrez、Joanne deSchoolmeester、John G. Swales、Andrew V. Turnbull、Martin J. Wild

  DOI：10.1021/jm4016729

  日期：2014.2.13

  11 beta-Hydroxysteroid dehydrogenase type 1 (11 beta-HSD1) has been widely considered by the pharmaceutical industry as a target to treat metabolic syndrome in type II diabetics. We hypothesized that central nervous system (CNS) penetration might be required to see efficacy. Starting from a previously reported pyrimidine compound, we removed hydrogen-bond donors to yield 3, which had modest CNS penetration. More significant progress was achieved by changing the core to give 40, which combines good potency and CNS penetration. Compound 40 was dosed to diet-induced obese (DIO) mice and gave excellent target engagement in the liver and high free exposures of drug, both peripherally and in the CNS. However, no body weight reduction or effects on glucose or insulin were observed in this model. Similar data were obtained with a structurally diverse thiazole compound 51. This work casts doubt on the hypothesis that localized tissue modulation of 11 beta-HSD1 activity alleviates metabolic syndrome.
• A catch-and-release strategy for the combinatorial synthesis of 4-acylamino-1,3-thiazoles as potential CDK5 inhibitors
  作者：Scott D Larsen、Carl F Stachew、Paula M Clare、Jerry W Cubbage、Karen L Leach

  DOI：10.1016/s0960-894x(03)00726-1

  日期：2003.10

  Two-dimensional libraries of 4-acylamino-1,3-thiazoles 9 were prepared via Curtius rearrangement of 1,3-thiazole-4-carbonyl azides 6, trapping of the intermediate isocyanates with oxime resin, and thermal regeneration of the isocyanates from the washed resin in the presence of nucleophiles. Several compounds proved to be selective inhibitors of CDK5/p25 versus the closely homologous CDK2/cyclin A enzyme, with the best analogue (43) possessing over 100-fold selectivity. (C) 2003 Elsevier Ltd. All rights reserved.