乙酮,2-溴-1-(2-噻唑基)-,氢溴化 | 199804-81-4

• 分子结构分类: 有机化合物 - 有机氧化合物
• 中文名称: 乙酮,2-溴-1-(2-噻唑基)-,氢溴化
• 英文名称: 2-(2-bromoacetyl)thiazole hydrobromide
• 英文别名: 2-bromo-1-thiazol-2-yl-ethanone; hydrobromide；2-Brom-1-thiazol-2-yl-aethanon; Hydrobromid；2-bromo-1-thiazol-2-yl-ethanone hydrobromide；2-bromoacetylthiazole hydrobromide；2-Bromo-1-(1,3-thiazol-2-yl)-1-ethanone hydrobromide；2-bromo-1-(1,3-thiazol-2-yl)ethanone;hydrobromide
• CAS: 199804-81-4
• 化学式: BrH*C₅H₄BrNOS
• mdl: MFCD08056654
• 分子量: 286.975
• InChiKey: HLJSDOINJDEVKV-UHFFFAOYSA-N

物化性质

• 熔点：
  193～194℃

计算性质

• 辛醇/水分配系数(LogP)：
  1.29
• 重原子数：
  10
• 可旋转键数：
  2
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.2
• 拓扑面积：
  58.2
• 氢给体数：
  1
• 氢受体数：
  4

安全信息

• 海关编码：
  2934100090

反应信息

• 作为反应物：
  描述：

  乙酮,2-溴-1-(2-噻唑基)-,氢溴化 在 盐酸 作用下， 以 乙醇 为溶剂， 生成 2-(α-hydroxyethyl)thiazol dimethylacetale
  参考文献：
  名称：

  786.与硫胺素催化的反应有关的模型中间体的合成

  摘要：

  DOI：

  10.1039/jr9650004265
• 作为产物：
  描述：

  2-乙酰基噻唑 在 pyridinium hydrobromide perbromide 作用下， 以 二氯甲烷 为溶剂， 反应 48.0h， 生成 乙酮,2-溴-1-(2-噻唑基)-,氢溴化
  参考文献：
  名称：

  Structure–activity relationships of 2-aminothiazoles effective against Mycobacterium tuberculosis

  摘要：

  A series of 2-aminothiazoles was synthesized based on a HTS scaffold from a whole-cell screen against Mycobacterium tuberculosis (Mtb). The SAR shows the central thiazole moiety and the 2-pyridyl moiety at C-4 of the thiazole are intolerant to modification. However, the N-2 position of the aminothiazole exhibits high flexibility and we successfully improved the antitubercular activity of the initial hit by more than 128-fold through introduction of substituted benzoyl groups at this position. N-(3-Chlorobenzoyl)-4-(2-pyridinyl)-1,3-thiazol-2-amine (55) emerged as one of the most promising analogues with a MIC of 0.024 mu M or 0.008 mu g/mL in 7H9 media and therapeutic index of nearly similar to 300. However, 55 is rapidly metabolized by human liver microsomes (t(1/2) = 28 min) with metabolism occurring at the invariant aminothiazole moiety and Mtb develops spontaneous low-level resistance with a frequency of similar to 10 (5). (C) 2013 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmc.2013.08.048

文献信息

• Novel benzothiophene derivatives
  申请人：Daiichi Pharmaceutical Co. Ltd.

  公开号：US20030130340A1

  公开（公告）日：2003-07-10

  The present invention relates to novel benzothiophene derivatives represnted by the following formula (I) or salts thereof, inhibitors of steroid 17&agr;-hydroxylase and/or C17-20 lyase, and pharmaceutical compositions containing the benzothiophene derivative or the salt. 1 wherein Ar shows a substituted or unsubstituted aromatic heterocyclic group; R shows a hydroxyl group, lower alkyl group, lower alkyloxy group, halogen atom, carboxyl group, lower alkyloxycarbonyl group, carbamoyl group, amino group, amino group which may be substituted or not substituted with one or more substituents selected from a lower alkyl group and lower acyl group, cyano group, substituted or unsubstituted phenyl group, substituted or unsubstituted phenoxy group, substituted or unsubstituted phenyl lower alkyl group, substituted or unsubstituted phenyl lower alkyloxy group, or substituted or unsubstituted aromatic heterocyclic group.

  本发明涉及以下公式(I)表示的新的苯并噻吩衍生物或其盐，这些衍生物是类固醇17α-羟化酶和/或C17-20裂合酶的抑制剂，以及包含该苯并噻吩衍生物或其盐的药物组合物。 1 其中，Ar表示取代的或未取代的芳香杂环族；R表示羟基，低级烷基，低级烷氧基，卤素原子，羧基，低级烷氧基羰基，氨基甲酰基，氨基，可能被一个或多个选自低级烷基和低级酰基的取代基取代或不取代的氨基，氰基，取代的或未取代的苯基，取代的或未取代的苯氧基，取代的或未取代的苯基低级烷基，取代的或未取代的苯基低级烷氧基，或取代的或未取代的芳香杂环族。
• 2,3-substituted indole compounds as anti-inflammatory and analgesic agents
  申请人：——

  公开号：US06608070B1

  公开（公告）日：2003-08-19

  This invention provides a compound of the following formula: or the pharmaceutically acceptable salts thereof wherein Z is OH, C1-6 alkoxy, —NR2R3 or heterocycle; Q is selected from the following: (a) an optionally substituted phenyl, (b) an optionally substituted 6-membered monocyclic aromatic group containing one, two, three or four nitrogen atom(s), (c) an optionally substituted 5-membered monocyclic aromatic group containing one heteroatom selected from O, S and N and optionally containing one, two or three nitrogen atom(s) in addition to said heteroatom, (d) an optionally substituted C3-7 cycloalkyl and (e) an optionally substituted benzo-fuzed heterocycle; R1 is hydrogen, C1-4 alkyl or halo; R2 and R3 are independently hydrogen, OH, C1-4 alkoxy, C1-4 alkyl or C1-4 alkyl substituted with halo, OH, C1-4 alkoxy or CN; X is independently selected from H, halo, C1-4 alkyl, halo-substituted C1-4 alkyl, OH, C1-4 alkoxy, halo-substituted C1-4 alkoxy, C1-4 alkylthio, NO2, NH2, di-(C1-4 alkyl)amino and CN; and n is 0, 1, 2, 3 and 4. This invention also provides a pharmaceutical composition useful for the treatment of a medical condition in which prostaglandins are implicated as pathogens.

  本发明提供以下公式的化合物或其药学上可接受的盐，其中Z为OH、C1-6烷氧基、—NR2R3或杂环；Q从以下选择：（a）可选择取代的苯基，（b）可选择取代的含有一、两、三或四个氮原子的6元单环芳基，（c）可选择取代的含有O、S和N中的一种杂原子的5元单环芳基，并且除了所述杂原子外，还可以选择含有一、两或三个氮原子，（d）可选择取代的C3-7环烷基和（e）可选择取代的苯并杂环；R1为氢、C1-4烷基或卤素；R2和R3分别为氢、OH、C1-4烷氧基、取代有卤素、OH、C1-4烷氧基或CN的C1-4烷基；X独立选择自H、卤素、C1-4烷基、取代有卤素的C1-4烷基、OH、C1-4烷氧基、取代有卤素的C1-4烷氧基、C1-4烷基硫、NO2、NH2、双（C1-4烷基）氨基和CN；n为0、1、2、3和4。本发明还提供一种治疗前列腺素作为病原体的医疗条件的药物组合物。
• Tetrazolylalkyl indole compounds as anti-inflammatory and analgesic agents
  申请人：PFIZER INC.

  公开号：EP1065206B1

  公开（公告）日：2002-10-09