2-[(6-ethoxy-1,3-benzothiazol-2-yl)sulfanyl]-N-propylacetamide | 794538-56-0

• 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-ethoxy-1,3-benzothiazol-2-yl)sulfanyl]-N-propylacetamide
• CAS: 794538-56-0
• 化学式: C₁₄H₁₈N₂O₂S₂
• 分子量: 310.4
• InChiKey: SRLHAUFEKHKNNW-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.8
• 重原子数：
  20
• 可旋转键数：
  7
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.43
• 拓扑面积：
  105
• 氢给体数：
  1
• 氢受体数：
  5

反应信息

• 作为产物：
  描述：

  2-((6-ethoxybenzo[d]thiazol-2-yl)thio)acetic acid 、 正丙胺 、 1-羟基苯并三唑 、 1,2-二氯乙烷 在 碳酸氢钠 、 Brine 、 magnesium sulfate 、 乙腈 作用下， 以 氯仿 、 乙酸乙酯 为溶剂， 反应 20.25h， 以to give 33 (57.9 mg, 36% yield) as a brown amorphous solid, range of m.p. temperature的产率得到2-[(6-ethoxy-1,3-benzothiazol-2-yl)sulfanyl]-N-propylacetamide
  参考文献：
  名称：

  COMPOUNDS AND COMPOSITIONS FOR USE IN AUGMENTATION OF GLUCOSE

  摘要：

  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。

  公开号：

  US20150025094A1

文献信息

• 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。
• COMPOUNDS AND COMPOSITIONS FOR USE IN AUGMENTATION OF GLUCOSE UPTAKE AND INSULIN SECRETION
  申请人：Yissum Research Development Company of The Hebrew University of Jerusalem Ltd.

  公开号：EP2739612A1

  公开（公告）日：2014-06-11
• US9409904B2
  申请人：——

  公开号：US9409904B2

  公开（公告）日：2016-08-09
• [EN] COMPOUNDS AND COMPOSITIONS FOR USE IN AUGMENTATION OF GLUCOSE UPTAKE AND INSULIN SECRETION<br/>[FR] COMPOSÉS ET COMPOSITIONS POUR UNE UTILISATION DANS L'AUGMENTATION DE L'ABSORPTION DU GLUCOSE ET DE LA SÉCRÉTION D'INSULINE
  申请人：YISSUM RES AND DEV OF THE HEBREW UNIVERSITY OF JERUSALEM LTD

  公开号：WO2013018095A1

  公开（公告）日：2013-02-07

  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-, -0-, -S02-, arylene, heteroarylene; Rl 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 het- eroaromatic ring, each optionally substituted with at least one group selected from -COOH, -NH2, C1-C8 alkoxy, C1-C5 amidyle, C1-C5 car- boxyl, halogen; and R2 is independently selected from the group consisting of H, OH, SH, NH2, N02, 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.
• 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。