2-(1,3-thiazol-2-yl)benzoic acid | 927802-39-9

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: 2-(1,3-thiazol-2-yl)benzoic acid
• 英文别名: 2-(thiazol-2-yl)benzoic acid
• CAS: 927802-39-9
• 化学式: C₁₀H₇NO₂S
• 分子量: 205.237
• InChiKey: FQRCVHZNITWETI-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.1
• 重原子数：
  14
• 可旋转键数：
  2
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  78.4
• 氢给体数：
  1
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  2-(1,3-thiazol-2-yl)benzoic acid 在 正丁基锂 、 N-氟代双苯磺酰胺 作用下， 以 四氢呋喃 、 正己烷 为溶剂， 反应 1.5h， 以354.6 mg的产率得到2-(5-fluoro-1,3-thiazol-2-yl)benzoic acid
  参考文献：
  名称：

  Heterocyclic Compound

  摘要：

  本发明提供了一种具有促醒素受体拮抗活性的化合物，预计可用作药物，如预防或治疗睡眠障碍、抑郁症、焦虑症、恐慌症、精神分裂症、药物依赖、阿尔茨海默病等的药剂。 本发明涉及由以下式（I）表示的化合物： 其中每个符号如规范中定义，或其盐。

  公开号：

  US20180155333A1
• 作为产物：
  描述：

  2-噻唑-2-基苯甲醛 在 sodium chlorite 、 sodium dihydrogenphosphate 、 双氧水 作用下， 以 水 、 乙腈 为溶剂， 生成 2-(1,3-thiazol-2-yl)benzoic acid
  参考文献：
  名称：

  Design and synthesis of 6-fluoro-2-naphthyl derivatives as novel CCR3 antagonists with reduced CYP2D6 inhibition

  摘要：

  In our previous study on discovering novel types of CCR3 antagonists, we found a fluoronaphthalene derivative (1) that exhibited potent CCR3 inhibitory activity with an IC(50) value of 20 nM. However, compound 1 also inhibited human cytochrome P450 2D6 (CYP2D6) with an IC(50) value of 400 nM. In order to reduce its CYP2D6 inhibitory activity, we performed further systematic structural modi. cations on 1. In particular, we focused on reducing the number of lipophilic moieties in the biphenyl part of 1, using Clog D(7.4) values as the reference index of lipophilicity. This research led to the identification of N-{(3-exo)-8-[(6-fluoro-2-naphthyl)methyl]-8-azabicyclo[3.2.1]oct-3-yl}-3-(piperidin-1-ylcarbonyl)isonicotinamide 1-oxide (30) which showed comparable CCR3 inhibitory activity (IC(50) = 23 nM) with much reduced CYP2D6 inhibitory activity (IC50 = 29,000 nM) compared with 1. (C) 2008 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmc.2008.08.006

文献信息

• Substituted thiazole derivatives useful as platelet aggregation
  申请人：McNeil-PPC, Inc.

  公开号：US05342851A1

  公开（公告）日：1994-08-30

  This invention relates to substituted thiazole derivatives of the following general formula, the substituent groups of which are as defined herein: ##STR1## These compounds are useful as inhibitors of platelet aggregation and inhibitors of adhesion molecules and may be provided in pharmaceutical compositions and in methods of treating reperfusion thrombosis injury in patients.

  本发明涉及下列一般式的取代噻唑衍生物，其取代基如下所定义：##STR1## 这些化合物可用作抑制血小板聚集和抑制黏附分子的抑制剂，并可在药物组合物和治疗患者再灌注血栓形成损伤的方法中使用。
• [EN] TRIAZOLE TRICYCLIC DERIVATIVE AND PREPARATION METHOD THEREFOR AND APPLICATION THEREOF<br/>[FR] DÉRIVÉ TRICYCLIQUE DE TRIAZOLE ET SON PROCÉDÉ DE PRÉPARATION ET SON APPLICATION<br/>[ZH] 三氮唑类三并环衍生物及其制备方法和应用
  申请人：SHANGHAI JEMINCARE PHARMACEUTICAL CO LTD

  公开号：WO2022135335A1

  公开（公告）日：2022-06-30

  式I所示的化合物、其光学异构体及其药效上可接受的盐，以及所述化合物在制备预防和/或治疗与血管加压素受体相关的疾病的药物中的用途。
• Heterocyclic carboxylic acids and esters
  申请人：Bristol-Myers Squibb Company

  公开号：EP0442448A2

  公开（公告）日：1991-08-21

  Heterocyclic acids and esters useful as inhibitors of mammalian blood platelet aggregation characterized by Formula I, II and VIII are disclosed. Formula I compounds are those wherein n is 6-9, R is hydrogen, lower alkyl or an alkali metal ion, and HET1 is heterocyclic radical selected from the group consisting of 3,4-diphenyl-1H-pyrrol-1-yl, 1,6-dihydro-6-oxo-3,4-diphenyl-1-pyridazinyl, 2,3-dihydro-3-oxo-5,6-diphenyl-1,2,4-triazin-2-yl, 1-oxo-4,5-diphenyl-2H-pyrimidin-1-yl, 2,5-dioxo-3,4-diphenylimidazolidin-1-yl, 5-(diphenylmethyl)-2H-tetrazol-2-yl, 4,5-diphenyl-2-thiazoyl, 4,5-diphenyl-1 H-imidazol-2-yl, and 1,5-diphenyl-1 H-pyrazol-3-yl. Formula II compounds are those wherein R1 is hydrogen, lower alkyl or an alkali metal ion, and the radical -OCH2CO2R is attached in the 3 or 4 ring position; and HET2 is a heterocyclic radical selected from the group consisting of 4,5-diphenyl-2-thiazoyl, 4,5-diphenyl-1H-imidazol-2-y1,3,4-diphenyl-1H-pyrazol-1-yl, 4,5-diphenyl-1H-pyrazol-1-yl, 1-5-diphenyl-1H-pyrazol-3-yl, 1,6-dihydro-6-oxo-3,4-diphenyl-1-pyridazinyl, 2,3-dihydro-3-oxo-5,6-diphenylmethyl-1,2,3-triazin-2-yl, and 5-(diphenylmethyl)-2H-tetrazol-2-yl. Formula VIII compounds are those wherein R1 is hydrogen, lower alkyl or an alkali metal ion, and the radical -OCH2C02R is attached in the 3 or 4 ring position.

  本发明公开了可用作哺乳动物血小板聚集抑制剂的杂环酸和酯，其特征为式 I、II 和 VIII。 式 I 化合物为其中 n 为 6-9，R 为氢、低级烷基或碱金属离子，HET1 为杂环基，选自由 3，4-二苯基-1H-吡咯-1-基、1，6-二氢-6-氧代-3，4-二苯基-1-哒嗪基、2、3-dihydro-3-oxo-5,6-diphenyl-1,2,4-triazin-2-yl, 1-oxo-4,5-diphenyl-2H-pyrimidin-1-yl, 2,5-dioxo-3,4-diphenylimidazolidin-1-yl,5-(二苯基甲基)-2H-四唑-2-基、4,5-二苯基-2-噻唑基、4,5-二苯基-1H-咪唑-2-基和 1,5-二苯基-1H-吡唑-3-基。 式 II 化合物是指其中 R1 为氢、低级烷基或碱金属离子，且自由基 -OCH2CO2R 连接在 3 环或 4 环位置上的化合物；和 HET2 是杂环基，选自由以下组成的组 4,5-二苯基-2-噻唑基、4,5-二苯基-1H-咪唑-2-基1、3,4-二苯基-1H-吡唑-1-基、4,5-二苯基-1H-吡唑-1-基1-5-diphenyl-1H-pyrazol-3-yl, 1,6-dihydro-6-oxo-3,4-diphenyl-1-pyridazinyl, 2,3-dihydro-3-oxo-5,6-diphenylmethyl-1,2,3-triazin-2-yl, and 5-(diphenylmethyl)-2H-tetrazol-2-yl. 式 VIII 化合物是指其中 R1 为氢、低级烷基或碱金属离子，且自由基 -OCH2C02R 连接在 3 环或 4 环位置上的化合物。
• HETEROCYCLIC COMPOUND
  申请人：Takeda Pharmaceutical Company Limited

  公开号：EP3287454A1

  公开（公告）日：2018-02-28

  The present invention provide a compound having an orexin receptor antagonistic activity, which is expected to be useful as medicaments such as agents for the prophylaxis or treatment of sleep disorder, depression, anxiety disorder, panic disorder, schizophrenia, drug dependence, Alzheimer's disease and the like. The present invention relates to a compound represented by the formula (I): wherein each symbol is as defined in the specification, or a salt thereof.

  本发明提供了一种具有奥曲肽受体拮抗活性的化合物，该化合物有望用作药物，如预防或治疗睡眠障碍、抑郁症、焦虑症、恐慌症、精神分裂症、药物依赖、阿尔茨海默病等的药物。 本发明涉及一种由式（I）代表的化合物： 其中各符号如说明书中所定义，或其盐。
• Heterocyclic compound
  申请人：TAKEDA PHARMACEUTICAL COMPANY LIMITED

  公开号：US10131653B2

  公开（公告）日：2018-11-20

  The present invention provide a compound having an orexin receptor antagonistic activity, which is expected to be useful as medicaments such as agents for the prophylaxis or treatment of sleep disorder, depression, anxiety disorder, panic disorder, schizophrenia, drug dependence, Alzheimer's disease and the like. The present invention relates to a compound represented by the formula (I): wherein each symbol is as defined in the specification, or a salt thereof.

  本发明提供了一种具有奥曲肽受体拮抗活性的化合物，该化合物有望用作药物，如预防或治疗睡眠障碍、抑郁症、焦虑症、恐慌症、精神分裂症、药物依赖、阿尔茨海默病等的药物。 本发明涉及一种由式（I）代表的化合物： 其中各符号如说明书中所定义，或其盐类。