2-Methyl-7-chlorsulfonylbenzothiazol | 5036-88-4

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 苯并噻唑类
• 英文名称: 2-Methyl-7-chlorsulfonylbenzothiazol
• 英文别名: 2-Methyl-benzothiazol-7-sulfonylchlorid；2-methyl-benzothiazole-7-sulfonyl chloride；2-methyl-7-chlorosulfonylbenzothiazole；2-methyl-1,3-benzothiazole-7-sulfonyl chloride
• CAS: 5036-88-4
• 化学式: C₈H₆ClNO₂S₂
• mdl: MFCD19200171
• 分子量: 247.726
• InChiKey: RDFBGLVDPQPDLW-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.8
• 重原子数：
  14
• 可旋转键数：
  1
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.125
• 拓扑面积：
  83.6
• 氢给体数：
  0
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  2-Methyl-7-chlorsulfonylbenzothiazol 生成 2-Methyl-7-sulfamylbenzothiazol
  参考文献：
  名称：

  THOMPSON, MARK E.

  摘要：

  DOI：
• 作为产物：
  描述：

  7-Amino-2-methylbenzothiazole 生成 2-Methyl-7-chlorsulfonylbenzothiazol
  参考文献：
  名称：

  THOMPSON, MARK E.

  摘要：

  DOI：

文献信息

• Indole Compounds, Method of Preparing Them and Uses Thereof
  申请人：BINET Jean

  公开号：US20080153816A1

  公开（公告）日：2008-06-26

  Indole compounds corresponding to the formula (I): as defined in the claims, pharmaceutically acceptable addition salts of such compounds, pharmaceutical compositions containing such compounds, the process for their preparation, and their use as pharmacologically active substances, especially in the treatment of hypertriglyceridemia, hyperlipidemia, hypercholesterolemia, diabetes, endothelial dysfunction, cardiovascular disease, inflammatory disease and neurodegeneration.

  与公式（I）相对应的吲哚化合物，如权利要求中所定义的，这些化合物的药学上可接受的加盐物，含有这些化合物的药物组合物，其制备方法，以及它们作为药理活性物质的用途，特别是在治疗高三酰甘油血症、高脂血症、高胆固醇血症、糖尿病、内皮功能障碍、心血管疾病、炎症性疾病和神经退行性疾病方面。
• Pyrrolopyridine Compounds, Method of Making Them and Uses Thereof
  申请人：Boubia Benaissa

  公开号：US20080200495A1

  公开（公告）日：2008-08-21

  Pyrrolopyridine compounds corresponding to formula (I): as defined in the claims, pharmaceutically acceptable salts thereof, the process for preparing such compounds, pharmaceutical compositions containing such compounds, and their use as pharmacologically active substances, especially in the treatment of hypertriglyceridemia, hyperlipidemia, hypercholesterolemia, diabetes, endothelial dysfunction, cardiovascular diseases, inflammatory diseases and neurodegenerative diseases.

  与公式（I）中定义的吡咯吡啶化合物相应的药用盐，制备这类化合物的方法，含有这类化合物的药物组合物，以及它们作为药理活性物质的用途，特别是在治疗高甘油三酯血症、高脂血症、高胆固醇血症、糖尿病、内皮功能障碍、心血管疾病、炎症性疾病和神经退行性疾病方面。
• Discovery of potent cholecystokinin-2 receptor antagonists: Elucidation of key pharmacophore elements by X-ray crystallographic and NMR conformational analysis
  作者：Mark D. Rosen、Michael D. Hack、Brett D. Allison、Victor K. Phuong、Craig R. Woods、Magda F. Morton、Clodagh E. Prendergast、Terrance D. Barrett、Carsten Schubert、Lina Li

  DOI：10.1016/j.bmc.2008.01.059

  日期：2008.4.1

  A novel series of cholecystokinin-2 receptor (CCK-2R) antagonists has been identified, as exemplified by anthranilic sulfonamide 1 (pK(i)=7.6). Pharmacokinetic and stability studies indicated that this series of compounds suffered from metabolic degradation, and that both the benzothiadiazole and piperidine rings were rapidly oxidized by liver enzymes. A combination of synthesis, computational methods

  已经确定了一系列新的胆囊收缩素2受体（CCK-2R）拮抗剂，例如邻氨基苯甲酰胺1（pK（i）= 7.6）。药代动力学和稳定性研究表明，该系列化合物遭受代谢降解，并且苯并噻二唑和哌啶环均被肝酶快速氧化。合成，计算方法，（1）1 H NMR构象研究和X射线晶体学分析相结合，以阐明关键药效基团元素，并发现具有改进的药代动力学特征，高受体结合亲和力和选择性的类似物。
• Herbicidal sulfonamides
  申请人：E. I. Du Pont de Nemours and Company

  公开号：US04643759A1

  公开（公告）日：1987-02-17

  This invention relates to certain herbicidally active sulfonamide compounds, suitable agricultural compositions thereof and a method for their use as general and/or selective preemergence or postemergence herbicides or plant growth regulants.

  本发明涉及某些具有除草活性的磺酰胺化合物，适用于农业组成物和它们的使用方法，作为一般和/或选择性的前出苗或后出苗除草剂或植物生长调节剂。
• Use of Pyrrolopyridine Compounds for Activating PPAR Receptors and Treatment of Conditions Involving Such Receptors
  申请人：Boubia Benaissa

  公开号：US20090239856A1

  公开（公告）日：2009-09-24

  A method of activating PPAR receptors in a subject, said method comprising administering to said subject an effective PPAR receptor activating amount of a pyrrolopyridine compound corresponding to formula (I): wherein R, R 1 , R 2 , R 3 , R 4 , X, Ar and n have defined meanings, or a pharmaceutically acceptable salt thereof, particularly as part of the treatment of a disorder or disease state selected from the group consisting of atherosclerosis, myocardial infarction, hypertension, and cerebral vascular disease.

  本发明涉及一种激活主体中PPAR受体的方法，该方法包括向该主体投与有效的PPAR受体激活量的与式(I)相对应的吡咯吡啶化合物，其中R、R1、R2、R3、R4、X、Ar和n具有定义的含义，或其药学上可接受的盐，特别用于治疗动脉粥样硬化、心肌梗死、高血压和脑血管疾病等疾病或病态。