1-(2-甲基-1,3-苯并噻唑-5-基)乙酮 | 20077-88-7

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 苯并噻唑类
• 中文名称: 1-(2-甲基-1,3-苯并噻唑-5-基)乙酮
• 英文名称: 1-(2-methylbenzo[d]thiazol-5-yl)ethan-1-one
• 英文别名: 1-(2-Methylbenzo[d]thiazol-5-yl)ethanone；1-(2-methyl-1,3-benzothiazol-5-yl)ethanone
• CAS: 20077-88-7
• 化学式: C₁₀H₉NOS
• mdl: MFCD02693109
• 分子量: 191.254
• InChiKey: KPMZOEHLPRSIEC-UHFFFAOYSA-N

物化性质

• 熔点：
  86 °C(Solv: ligroine (8032-32-4))
• 沸点：
  318.5±15.0 °C(Predicted)
• 密度：
  1.241±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2.5
• 重原子数：
  13
• 可旋转键数：
  1
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.2
• 拓扑面积：
  58.2
• 氢给体数：
  0
• 氢受体数：
  3

安全信息

• 海关编码：
  2934999090

反应信息

• 作为反应物：
  描述：

  1-(2-甲基-1,3-苯并噻唑-5-基)乙酮 在 sodium hydroxide 作用下， 以 甲醇 、 水 为溶剂， 生成 2-(2-Methyl-5-benzothiazolyl)chinolin
  参考文献：
  名称：

  Zubarovskii,V.M.; Khodot,G.P., Soviet progress in chemistry, 1977, vol. 43, # 9, p. 62 - 67

  摘要：

  DOI：
• 作为产物：
  描述：

  2-甲基-5-苯并噻唑甲醇 在 chromium(VI) oxide 作用下， 以 乙醚 、 溶剂黄146 为溶剂， 反应 2.0h， 生成 1-(2-甲基-1,3-苯并噻唑-5-基)乙酮
  参考文献：
  名称：

  Zubarovskii,V.M.; Khodot,G.P., Journal of general chemistry of the USSR, 1964, vol. 34, p. 3852 - 3856

  摘要：

  DOI：

文献信息

• [EN] LINEAR GLYCOSIDASE INHIBITORS<br/>[FR] INHIBITEURS LINÉAIRES DE LA GLYCOSIDASE
  申请人：ASCENEURON S A

  公开号：WO2019037860A1

  公开（公告）日：2019-02-28

  Compounds of formula (I) wherein A, R, W, Q, L, n and m have the meaning according to the claims can be employed, inter alia, for the treatment of tauopathies and Alzheimer's disease.

  式（I）中A、R、W、Q、L、n和m的含义如权利要求所述，可用于治疗tau病和阿尔茨海默病。
• [EN] OGA INHIBITOR COMPOUNDS<br/>[FR] COMPOSÉS INHIBITEURS D'OGA
  申请人：JANSSEN PHARMACEUTICA NV

  公开号：WO2019243528A1

  公开（公告）日：2019-12-26

  The present invention relates to O-GlcNAc hydrolase (OGA) inhibitors. The invention is also directed to pharmaceutical compositions comprising such compounds, to processes for preparing such compounds and compositions, and to the use of such compounds and compositions for the prevention and treatment of disorders in which inhibition of OGA is beneficial, such as tauopathies, in particular Alzheimer's disease or progressive supranuclear palsy; and neurodegenerative diseases accompanied by a tau pathology, in particular amyotrophic lateral sclerosis or frontotemporal lobe dementia caused by C90RF72 mutations.

  本发明涉及O-GlcNAc水解酶（OGA）抑制剂。该发明还涉及包含这类化合物的药物组合物，制备这类化合物和组合物的方法，以及利用这类化合物和组合物预防和治疗抑制OGA有益的疾病的用途，例如tau病变，特别是阿尔茨海默病或进行性上行性麻痹; 以及伴有tau病理的神经退行性疾病，特别是由C90RF72突变引起的肌萎缩性侧索硬化或额颞叶痴呆。
• [EN] MONOCYCLIC OGA INHIBITOR COMPOUNDS<br/>[FR] COMPOSÉS INHIBITEURS D'OGA MONOCYCLIQUE
  申请人：JANSSEN PHARMACEUTICA NV

  公开号：WO2018109202A1

  公开（公告）日：2018-06-21

  The present invention relates to O-GlcNAc hydrolase (OGA) inhibitors. The invention is also directed to pharmaceutical compositions comprising such compounds, to processes for preparing such compounds and compositions, and to the use of such compounds and compositions for the prevention and treatment of disorders in which inhibition of OGA is beneficial, such as tauopathies, in particular Alzheimer's disease or progressive supranuclear palsy; and neurodegenerative diseases accompanied by a tau pathology, in particular amyotrophic lateral sclerosis or frontotemporal lobe dementia caused by C9ORF72 mutations.

  本发明涉及O-GlcNAc水解酶（OGA）抑制剂。该发明还涉及包含这类化合物的药物组合物，用于制备这类化合物和组合物的方法，以及这类化合物和组合物在抑制OGA有益的疾病的预防和治疗中的用途，例如tau病变，特别是阿尔茨海默病或进行性上核性麻痹症；以及伴有tau病理的神经退行性疾病，特别是由C9ORF72突变引起的肌萎缩侧索硬化症或前颞叶痴呆症。
• [EN] SUCCINATE AND FUMARATE ACID ADDITION SALTS OF PIPERAZINE DERIVATIVES USEFUL AS GLYCOSIDASE INHIBITORS<br/>[FR] SELS D'ADDITION D'ACIDE SUCCINATE ET FUMARATE DE DÉRIVÉS DE PIPÉRAZINE UTILES EN TANT QU'INHIBITEURS DE GLYCOSIDASE
  申请人：ASCENEURON S A

  公开号：WO2020039030A1

  公开（公告）日：2020-02-27

  The invention relates to succinic acid addition salts or fumaric acid addition salts of piperazine derivatives of formula (I), as well as solid forms, such as polymorphic forms, thereof, which are useful as pharmaceutical ingredients and in particular as glycosidase inhibitors.

  该发明涉及公式（I）的哌嗪衍生物的琥珀酸盐或富马酸盐，以及其固体形式，如多晶形式，这些物质可用作药用成分，特别是作为糖苷酶抑制剂。
• 7,8-DIHYDROBENZO[E]PYRIDO[3,4-C]AZOCINE-2,5(3H,6H)-DIONE DERIVATIVES USEFUL AS A FACTOR XIA INHIBITORS
  申请人：Janssen Pharmaceutica NV

  公开号：US20220389005A1

  公开（公告）日：2022-12-08

  The present invention is directed to 7,8-dihydrobenzo[e]pyrido[3,4-c]azocine-2,5(3H,6H)-dione derivatives, stereoisomers, isotopologues, isotopomers and pharmaceutically acceptable salts thereof, pharmaceutical compositions containing said compounds and the use of said compounds in the treatment and/or prophylaxis of thromboembolic disorders, inflammatory disorders and diseases or conditions in which plasma kallikrein activity is implicated.

  本发明涉及7,8-二氢苯并[e]吡啶[3,4-c]氮杂环-2,5(3H,6H)-二酮衍生物、立体异构体、同位素拓扑构型、同位素拓扑异构体和其药学上可接受的盐，含有该化合物的制药组合物以及在治疗和/或预防血栓栓塞性疾病、炎症性疾病以及涉及血浆卡利肌酶活性的疾病或病况中使用该化合物的用途。