2-乙酰氨基-7-氧代-5,6-二氢-4H-苯并噻吩-3-羧酸乙酯 | 91421-24-8

• 分子结构分类: 有机化合物 - 有机氮化合物
• 中文名称: 2-乙酰氨基-7-氧代-5,6-二氢-4H-苯并噻吩-3-羧酸乙酯
• 英文名称: 2-acetylamino-3-ethoxycarbonyl-7-oxo-4,5,6,7-tetrahydrobenzothiophene
• 英文别名: Ethyl 2-(acetylamino)-7-oxo-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate；ethyl 2-acetamido-7-oxo-5,6-dihydro-4H-1-benzothiophene-3-carboxylate
• CAS: 91421-24-8
• 化学式: C₁₃H₁₅NO₄S
• mdl: MFCD00437065
• 分子量: 281.332
• InChiKey: JPJXZTHTKNOGNH-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.3
• 重原子数：
  19
• 可旋转键数：
  4
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.46
• 拓扑面积：
  101
• 氢给体数：
  1
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  2-乙酰氨基-7-氧代-5,6-二氢-4H-苯并噻吩-3-羧酸乙酯 在 copper(I) oxide 、 甲醇 、 氢氧化钾 、 sodium hydroxide 、 乙醇 、 水 、 亚硝酸异戊酯 作用下， 以 四氢呋喃 、 N,N-二甲基甲酰胺 为溶剂， 反应 5.75h， 生成 7-oxo-4,5,6,7-tetrahydrobenzothiophene-3-carboxylic acid
  参考文献：
  名称：

  Heterocyclic compound having oxime group

  摘要：

  本发明提供了一种对STAT6激活具有优异抑制活性且对过敏疾病有效的化合物及其药物组合物。根据本发明，公开了由通式（I）表示的化合物[其中R1和R2独立地表示可能具有氢原子或取代基等的C1-6烷基基团；R3表示可能具有取代基的C1-6烷基基团等；R4和R5独立地表示可能具有取代基的氢原子或C1-6烷基基团等；R6表示氢原子等；W表示—SO2—等；X表示硫原子等]或其盐或水合物。

  公开号：

  US20050227959A1
• 作为产物：
  描述：

  2-氨基-4,5,6,7-四氢苯并噻酚-3-羧酸乙酯 在 吡啶 、 cerium (IV) sulfate 、 溶剂黄146 作用下， 以 水 为溶剂， 反应 0.5h， 生成 2-乙酰氨基-7-氧代-5,6-二氢-4H-苯并噻吩-3-羧酸乙酯
  参考文献：
  名称：

  Heterocyclic compound having oxime group

  摘要：

  本发明提供了一种对STAT6激活具有优异抑制活性且对过敏疾病有效的化合物及其药物组合物。根据本发明，公开了由通式（I）表示的化合物[其中R1和R2独立地表示可能具有氢原子或取代基等的C1-6烷基基团；R3表示可能具有取代基的C1-6烷基基团等；R4和R5独立地表示可能具有取代基的氢原子或C1-6烷基基团等；R6表示氢原子等；W表示—SO2—等；X表示硫原子等]或其盐或水合物。

  公开号：

  US20050227959A1

文献信息

• Heterocyclic compound having oxime group
  申请人：Yoshida Ichiro

  公开号：US20050227959A1

  公开（公告）日：2005-10-13

  The present invention provides a compound that has an excellent inhibitory activity on STAT6 activation and is effective against allergic diseases, and a medicinal composition thereof. According to the present invention, disclosed is the compound represented by the General Formula (I) [where R 1 and R 2 independently represent a C 1-6 alkyl group and the like that may have a hydrogen atom or a substituent; R 3 represents a C 1-6 alkyl group and the like that may have a substituent; R 4 and R 5 independent represents a hydrogen atom or a C 1-6 alkyl group and the like that may have a substituent; R 6 represents a hydrogen atom and the like; W represents —SO 2 — and the like; and X represents a sulphur atom and the like.]or a salt thereof, or a hydrate thereof.

  本发明提供了一种对STAT6激活具有优异抑制活性且对过敏疾病有效的化合物及其药物组合物。根据本发明，公开了由通式（I）表示的化合物[其中R1和R2独立地表示可能具有氢原子或取代基等的C1-6烷基基团；R3表示可能具有取代基的C1-6烷基基团等；R4和R5独立地表示可能具有取代基的氢原子或C1-6烷基基团等；R6表示氢原子等；W表示—SO2—等；X表示硫原子等]或其盐或水合物。
• Novel compounds and their use in therapy
  申请人：Hirvelae Leena

  公开号：US20050176742A1

  公开（公告）日：2005-08-11

  Thiophenepyrimidinone compounds and their use in therapy, especially for use in the treatment and/or prevention of a steroid hormone dependent diseases or disorders, such as steroid hormone dependent diseases or disorders requiring inhibition of 17β-hydroxysteroid dehydrogenase enzymes.

  硫代嘧啶酮化合物及其在治疗中的应用，特别是用于治疗和/或预防类固醇激素依赖性疾病或紊乱，如需要抑制17β-羟基类固醇脱氢酶酶的类固醇激素依赖性疾病或紊乱。
• NITROGEN-CONTAINING HETEROCYCLIC COMPOUND
  申请人：Takeda Pharmaceutical Company Limited

  公开号：EP2009011A1

  公开（公告）日：2008-12-31

  The object of the present invention is to provide a compound having an ACC inhibitory action, which is useful for the prophylaxis or treatment of obesity, diabetes, hypertension, hyperlipidemia, cardiac failure, diabetic complications, metabolic syndrome, sarcopenia and the like, and has superior properties such as efficacy, duration of activity, specificity, low toxicity and the like. The present invention provides a compound represented by the following formula wherein ring M is a 5- or 6-membered aromatic ring; W is C or N; K is an optionally substituted methylene group or an optionally substituted imino group; R is a hydrogen atom, an optionally substituted hydrocarbon group, an optionally substituted hydroxy group or an optionally substituted heterocyclic group; T and U are independently a hydrogen atom or a substituent or, T and U form, together with ring M, an optionally substituted bicyclic ring; D and G are independently a carbonyl group or a sulfonyl group; ring P is an optionally substituted piperidine or an optionally substituted piperazine; B is CH or N; ring Q is an optionally substituted monocyclic ring; A is C, CH or N; and J is an optionally substituted hydrocarbon group, an optionally substituted heterocyclic group or an optionally substituted amino group, provided that when the W moiety of ring M is =N- or -N=, then U should be absent, or a salt thereof.

  本发明的目的是提供一种具有ACC抑制作用的化合物，用于预防或治疗肥胖、糖尿病、高血压、高脂血症、心力衰竭、糖尿病并发症、代谢综合征、肌肉萎缩等疾病，并具有诸如疗效、活性持续时间、特异性、低毒性等优越特性。本发明提供了以下式所表示的一种化合物，其中环M为5-或6-成员芳香环；W为C或N；K为可选择地取代的亚甲基基团或可选择地取代的亚胺基团；R为氢原子、可选择地取代的碳氢基团、可选择地取代的羟基或可选择地取代的杂环基团；T和U独立地为氢原子或取代基，或T和U与环M一起形成可选择地取代的双环环；D和G独立地为羰基或磺酰基；环P为可选择地取代的哌啶或可选择地取代的哌嗪；B为CH或N；环Q为可选择地取代的单环环；A为C、CH或N；J为可选择地取代的碳氢基团、可选择地取代的杂环基团或可选择地取代的氨基团，前提是当环M的W基团为=N-或-N=时，U应当不存在，或其盐。
• BENZOTHIOPHENE COMPOUND, ALTERNATIVE AUTOPHAGY-INDUCING AGENT AND ANTICANCER AGENT INCLUDING THE COMPOUND AS ACTIVE INGREDIENT, AND METHOD FOR SCREENING FOR COMPOUND HAVING ANTICANCER ACTIVITY
  申请人：National University Corporation Tokyo Medical and Dental University

  公开号：US20150056141A1

  公开（公告）日：2015-02-26

  It has been found that efficient screening for a compound having anticancer activity can be achieved by selecting a compound having activity to induce alternative autophagy using, as an index, formation of fluorescent bright spots due to aggregation of a lysosomal protein to which a fluorescent protein is attached in cells expressing the lysosomal protein. In addition, it has been found that a benzothiophene compound represented by the following general formula (1) has alternative autophagy-inducing activity and anticancer activity:

  已经发现，通过选择具有诱导替代自噬活性的化合物作为指标，在细胞中表达溶酶体蛋白质的情况下，通过形成荧光亮点聚集溶酶体蛋白质，可以实现高效筛选具有抗癌活性的化合物。此外，已经发现以下通式（1）所表示的苯并噻吩化合物具有替代自噬诱导活性和抗癌活性：
• BENZOTHIOPHENE COMPOUND, ALTERNATIVE AUTOPHAGY-INDUCING AGENT AND ANTICANCER DRUG INCLUDING BENZOTHIOPHENE COMPOUND AS ACTIVE INGREDIENT, AND METHOD FOR SCREENING FOR COMPOUNDS HAVING ANTICANCER ACTIVITY
  申请人：National University Corporation Tokyo Medical and Dental University

  公开号：EP2813226A1

  公开（公告）日：2014-12-17

  It has been found that efficient screening for a compound having anticancer activity can be achieved by selecting a compound having activity to induce alternative autophagy using, as an index, formation of fluorescent bright spots due to aggregation of a lysosomal protein to which a fluorescent protein is attached in cells expressing the lysosomal protein. In addition, it has been found that a benzothiophene compound represented by the following general formula (1) has alternative autophagy-inducing activity and anticancer activity:

  研究发现，以表达溶酶体蛋白的细胞中附着荧光蛋白的溶酶体蛋白聚集形成荧光亮点为指标，选择具有诱导替代自噬活性的化合物，可以有效筛选出具有抗癌活性的化合物。此外，还发现由以下通式（1）代表的苯并噻吩化合物具有替代自噬诱导活性和抗癌活性：