2-((6-ethoxybenzo[d]thiazol-2-yl)thio)acetic acid | 131317-46-9

• 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-((6-ethoxybenzo[d]thiazol-2-yl)thio)acetic acid
• 英文别名: 2-[(6-Ethoxy-1,3-benzothiazol-2-yl)sulfanyl]acetic acid
• CAS: 131317-46-9
• 化学式: C₁₁H₁₁NO₃S₂
• 分子量: 269.345
• InChiKey: XJYREGRATOEONE-UHFFFAOYSA-N

物化性质

• 熔点：
  138 °C(Solv: water (7732-18-5); ethanol (64-17-5))
• 沸点：
  462.0±51.0 °C(Predicted)
• 密度：
  1.43±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  3.6
• 重原子数：
  17
• 可旋转键数：
  5
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.27
• 拓扑面积：
  113
• 氢给体数：
  1
• 氢受体数：
  6

反应信息

• 作为反应物：
  描述：

  2-((6-ethoxybenzo[d]thiazol-2-yl)thio)acetic acid 生成 6-ethoxy-2-(nitromethylsulfanyl)-1,3-benzothiazole
  参考文献：
  名称：

  MAILION, KEITH BLAKENEY

  摘要：

  DOI：
• 作为产物：
  描述：

  氯乙酸 、 6-乙氧基-2-巯基苯并噻唑 在 sodium hydride 作用下， 以 四氢呋喃 为溶剂， 以10%的产率得到2-((6-ethoxybenzo[d]thiazol-2-yl)thio)acetic acid
  参考文献：
  名称：

  [EN] COMPOUNDS AND COMPOSITIONS FOR USE IN AUGMENTATION OF GLUCOSE UPTAKE AND INSULIN SECRETION
  [FR] COMPOSÉS ET COMPOSITIONS POUR UNE UTILISATION DANS L'AUGMENTATION DE L'ABSORPTION DU GLUCOSE ET DE LA SÉCRÉTION D'INSULINE

  摘要：

  公开号：

  WO2013018095A8

文献信息

• Benzothiazole derivatives augment glucose uptake in skeletal muscle cells and stimulate insulin secretion from pancreatic β-cells via AMPK activation
  作者：L. Pasternak、E. Meltzer-Mats、G. Babai-Shani、G. Cohen、O. Viskind、J. Eckel、E. Cerasi、S. Sasson、A. Gruzman

  DOI：10.1039/c4cc03310h

  日期：——

  Development of the unique bi-functional AMPK activators (glucose uptake and insulin secretion enhancers) for potential antidiabetic treatment.

  开发独特的双功能AMPK激活剂（促进葡萄糖摄取和胰岛素分泌增强剂），用于潜在的抗糖尿病治疗。
• Azetidine Derivatives as Ccr-e Receptor
  申请人：Legrand Mark Darren

  公开号：US20070259848A1

  公开（公告）日：2007-11-08

  Compounds of formula I in free or salt form, wherein Ar, X, Y and T have the meanings as indicated in the specification, are useful for treating a condition mediated by CCR-3, particularly an inflammatory or allergic condition such as an inflammatory or obstructive airways disease. Pharmaceutical compositions that contain the compounds and processes for preparing the compounds are also described.

  公式I的化合物，无论是自由形式还是盐形式，其中Ar、X、Y和T的含义如规范所示，可用于治疗由CCR-3介导的疾病，特别是炎症或过敏性疾病，如炎症性或阻塞性呼吸道疾病。还描述了含有这些化合物的制药组合物和制备这些化合物的方法。
• COMPOUNDS AND COMPOSITIONS FOR USE IN AUGMENTATION OF GLUCOSE
  申请人：Sasson Shlomo

  公开号：US20150025094A1

  公开（公告）日：2015-01-22

  The present invention is directed to compounds such as: formula wherein linker is independently selected from the group consisting of —S—, —S—S—, —S—(CH2)n—, —NH—, —NH—(CH2)n—, —O—, —S02-, arylene, heteroarylene; R1 is selected from the group consisting of straight or branched C4-C20 alkyl, straight or branched C4-C20 alkenyl, straight or branched C4-C20 alkynyl, each optionally interrupted with at least one NH, C5-C7 saturated cycloalkyl or heteroalkyl ring, C5-C12 aromatic or heteroaromatic ring, each optionally substituted with at least one group selected from —COOH, —NH2, C1-C8 alkoxy, C1-C5 amidyle, C1-C5 carboxyl, halogen; and R2 is independently selected from the group consisting of H, OH, SH, NH2, NO2, halogen, CN, C1-C8 alkoxy, C1-C5 carboxylic acid, straight or branched C1-C8 alkyl, straight or branched C2-C10 alkenyl, straight or branched C2-C12 alkynyl each optionally substituted by at least one substituent selected from the group consisting of C1-C5 alkoxy, C1-C5 carboxylic acid, OH, SH, NH2, halogen; and compositions for use in the treatment of diabetes and related dis orders.

  本发明涉及化合物，例如：式中，连接体独立地选自由以下组成的群组：—S—、—S—S—、—S—(CH2)n—、—NH—、—NH—(CH2)n—、—O—、—S02-、芳基和杂环芳基；R1选自由以下组成的群组：直链或支链的C4-C20烷基、直链或支链的C4-C20烯基、直链或支链的C4-C20炔基，每个选项均可中断至少一个NH、C5-C7饱和环烷基或杂基环、C5-C12芳香或杂环芳香环，每个选项均可用至少一种从—COOH、—NH2、C1-C8烷氧基、C1-C5酰胺基、C1-C5羧基和卤素中选取的基团进行取代；R2独立地选自由以下组成的群组：H、OH、SH、NH2、NO2、卤素、CN、C1-C8烷氧基、C1-C5羧酸、直链或支链的C1-C8烷基、直链或支链的C2-C10烯基、直链或支链的C2-C12炔基，每个选项均可用至少一种从C1-C5烷氧基、C1-C5羧酸、OH、SH、NH2和卤素中选取的取代基团进行取代；以及用于治疗糖尿病及相关疾病的组合物。
• Compounds and compositions for use in augmentation of glucose
  申请人：Sasson Shlomo

  公开号：US09409904B2

  公开（公告）日：2016-08-09

  The present invention is directed to compounds such as: formula wherein linker is independently selected from the group consisting of —S—, —S—S—, —S—(CH2)n-, —NH—, —NH—(CH2)n-, —O—, —SO2-, arylene, heteroarylene; R1 is selected from the group consisting of straight or branched C4-C20 alkyl, straight or branched C4-C20 alkenyl, straight or branched C4-C20 alkynyl, each optionally interrupted with at least one NH, C5-C7 saturated cycloalkyl or heteroalkyl ring, C5-C12 aromatic or heteroaromatic ring, each optionally substituted with at least one group selected from —COOH, —NH2, C1-C8 alkoxy, C1-C5 amidyle, C1-C5 carboxyl, halogen; and R2 is independently selected from the group consisting of H, OH, SH, NH2, NO2, halogen, CN, C1-C8 alkoxy, C1-C5 carboxylic acid, straight or branched C1-C8 alkyl, straight or branched C2-C10 alkenyl, straight or branched C2-C12 alkynyl each optionally substituted by at least one substituent selected from the group consisting of C1-C5 alkoxy, C1-C5 carboxylic acid, OH, SH, NH2, halogen; and compositions for use in the treatment of diabetes and related disorders.

  本发明涉及化合物，例如：式中，连接基独立选择自羟基、硫醚基、二硫醚基、硫代烷基、氮醚基、氮代烷基、氧代烷基、磺酰基、芳基、杂芳基等组成的群体中；R1选择自直链或支链C4-C20烷基、直链或支链C4-C20烯基、直链或支链C4-C20炔基，每个都可以被至少一个NH打断，C5-C7饱和环烷基或杂基环、C5-C12芳香或杂芳环，每个都可以被至少一个羧基（—COOH）、氨基（—NH2）、C1-C8烷氧基、C1-C5酰胺基、C1-C5羧基、卤素等中的至少一种基团取代；R2独立选择自H、OH、SH、NH2、NO2、卤素、CN、C1-C8烷氧基、C1-C5羧酸、直链或支链C1-C8烷基、直链或支链C2-C10烯基、直链或支链C2-C12炔基，每个都可以被至少一个羟基（OH）、硫醇基（SH）、氨基（NH2）、卤素等中的至少一种基团取代；以及用于治疗糖尿病和相关疾病的组合物。
• Azetidine derivatives as CCR-3 receptor antagonist
  申请人：Novartis AG

  公开号：US07691841B2

  公开（公告）日：2010-04-06

  Compounds of formula I in free or salt form, wherein Ar, X, Y and T have the meanings as indicated in the specification, are useful for treating a condition mediated by CCR-3, particularly an inflammatory or allergic condition such as an inflammatory or obstructive airways disease. Pharmaceutical compositions that contain the compounds and processes for preparing the compounds are also described.

  化学式为I的化合物，无论是自由形式还是盐形式，其中Ar、X、Y和T的含义如规范中所示，可用于治疗由CCR-3介导的疾病，特别是炎症或过敏性疾病，如炎症性或阻塞性气道疾病。还描述了包含这些化合物的制药组合物和制备这些化合物的方法。