1-[4-甲基-2-(2-噻吩)-1,3-噻唑-5-基]-1-乙酮 | 56421-61-5

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 唑类
• 中文名称: 1-[4-甲基-2-(2-噻吩)-1,3-噻唑-5-基]-1-乙酮
• 英文名称: 5-acetyl-4-methyl-2-(2-thienyl)thiazole
• 英文别名: 1-(4-methyl-2-thiophen-2-yl-thiazol-5-yl)-ethanone；2'-(4-Methyl-5-acetyl-2-thiazolyl)-thiophen；1-[4-Methyl-2-(2-thienyl)-1,3-thiazol-5-yl]-1-ethanone；1-(4-methyl-2-thiophen-2-yl-1,3-thiazol-5-yl)ethanone
• CAS: 56421-61-5
• 化学式: C₁₀H₉NOS₂
• mdl: MFCD00112084
• 分子量: 223.32
• InChiKey: GRYWITIQEPSTMV-UHFFFAOYSA-N

物化性质

• 熔点：
  121 °C

计算性质

• 辛醇/水分配系数(LogP)：
  2.7
• 重原子数：
  14
• 可旋转键数：
  2
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.2
• 拓扑面积：
  86.4
• 氢给体数：
  0
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  1-[4-甲基-2-(2-噻吩)-1,3-噻唑-5-基]-1-乙酮 在 盐酸 、 氢氧化钾 、 碘苯二乙酸 作用下， 反应 16.08h， 生成 2-hydroxy-1-(4-methyl-2-thiophen-2-yl-1,3-thiazol-5-yl)ethanone
  参考文献：
  名称：

  Prakash, Om; Goyal, Seema; Sehgal, Subhash, Indian Journal of Chemistry - Section B Organic and Medicinal Chemistry, 1988, vol. 27, # 1-12, p. 929 - 933

  摘要：

  DOI：
• 作为产物：
  描述：

  噻吩 、 5-乙酰基-2-氨基-4-甲基噻唑 在 亚硝酸异戊酯 作用下， 生成 1-[4-甲基-2-(2-噻吩)-1,3-噻唑-5-基]-1-乙酮
  参考文献：
  名称：

  Homolytic substitution reactions in heterocyclic series. XII. Heteroarylation of thiophene

  摘要：

  DOI：

  10.1021/jo00910a005

文献信息

• Bicyclic-substituted amines having cyclic-substituted monocyclic substituents
  申请人：Altenbach J. Robert

  公开号：US20050272728A1

  公开（公告）日：2005-12-08

  Compounds of formula (I) wherein R 1 or R 2 is an aromatic or non-aromatic ring directly joined or joined by a linker, as represented by L 2 and L 3 , to a heteroaromatic core, and X, X′, Y, Y′, Z, Z′, R 1 , R 2 , R 3 , R 3a , R 3b , R 4 , R 5 , L, L 2 , and L 3 are as defined herein, are useful in treating conditions or disorders prevented by or ameliorated by histamine-3 receptor ligands. Also disclosed are pharmaceutical compositions comprising the histamine-3 receptor ligands, methods for using such compounds and compositions, and a process for preparing compounds within the scope of formula (I).

  式（I）的化合物，其中R1或R2是直接连接或通过连接物连接的芳香或非芳香环，如由L2和L3表示，连接到杂环核心，以及X、X'、Y、Y'、Z、Z'、R1、R2、R3、R3a、R3b、R4、R5、L、L2和L3如本文所定义，可用于治疗由组胺-3受体配体预防或改善的病症或疾病。还公开了包含组胺-3受体配体的药物组合物，使用这类化合物和组合物的方法，以及制备符合式（I）范围内化合物的方法。
• [EN] BICYCLIC-SUBSTITUTED AMINES HAVING CYCLIC-SUBSTITUTED MONOCYCLIC SUBSTITUENTS<br/>[FR] AMINES À SUBSTITUTION BICYCLIQUE AYANT DES SUBSTITUANTS MONOCYCLIQUES À SUBSTITUTION CYCLIQUE
  申请人：ABBOTT LAB

  公开号：WO2005113551A1

  公开（公告）日：2005-12-01

  Compounds of formula (I) wherein R1 or R2 is an aromatic or non-aromatic ring directly joined or joined by a linker, as represented by L2 and L3, to a heteroaromatic core, and X, X', Y, Y', Z, Z', R1, R2, R3, R3a, R3b, R4, R5, L, L2, and L3 are as defined herein, are useful in treating conditions or disorders prevented by or ameliorated by histamine-3 receptor ligands. Also disclosed are pharmaceutical compositions comprising the histamine-3 receptor ligands, methods for using such compounds and compositions, and a process for preparing compounds within the scope of formula (I).

  公式（I）的化合物中，其中R1或R2是芳香或非芳香环，直接连接或通过连接剂L2和L3连接到杂环芳香核心，而X，X'，Y，Y'，Z，Z'，R1，R2，R3，R3a，R3b，R4，R5，L，L2和L3如本文所定义，可用于治疗由组胺-3受体配体预防或改善的疾病或症状。还公开了包含组胺-3受体配体的制药组合物，使用这些化合物和组合物的方法，以及制备公式（I）范围内的化合物的方法。
• Singh; Sehgal; Sharma, Indian Journal of Chemistry - Section B Organic and Medicinal Chemistry, 1990, vol. 29, # 6, p. 533 - 538
  作者：Singh、Sehgal、Sharma

  DOI：——

  日期：——
• Discovery of pyrazolthiazoles as novel and potent inhibitors of bacterial gyrase
  作者：Steven M. Ronkin、Michael Badia、Steve Bellon、Anne-Laure Grillot、Christian H. Gross、Trudy H. Grossman、Nagraj Mani、Jonathan D. Parsons、Dean Stamos、Martin Trudeau、Yunyi Wei、Paul S. Charifson

  DOI：10.1016/j.bmcl.2010.03.052

  日期：2010.5

  Bacterial DNA gyrase is an attractive target for the investigation of new antibacterial agents. Inhibitors of the GyrB subunit, which contains the ATP-binding site, are described in this communication. Novel, substituted 5-(1H-pyrazol-3-yl)thiazole compounds were identified as inhibitors of bacterial gyrase. Structure-guided optimization led to greater enzymatic potency and moderate antibacterial potency. Data are presented for the demonstration of selective enzyme inhibition of Escherichia coli GyrB over Staphylococcus aureus GyrB.
• In vitro studies on a class of quinoline containing histamine H3 antagonists
  作者：Huaqing Liu、Robert J. Altenbach、Gilbert J. Diaz、Arlene M. Manelli、Ruth L. Martin、Thomas R. Miller、Timothy A. Esbenshade、Jorge D. Brioni、Marlon D. Cowart

  DOI：10.1016/j.bmcl.2010.04.045

  日期：2010.6

  A series of quinoline containing histamine H-3 antagonists is reported herein. These analogs were synthesized via the Friedlander quinoline synthesis between an aminoaldehyde intermediate and a methyl ketone allowing for a wide diversity of substituents at the 2-position of the quinoline ring. (C) 2010 Elsevier Ltd. All rights reserved.