2-methyl-5-o-tolyl-thiazole-4-carboxylic acid | 188679-26-7

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 唑类
• 英文名称: 2-methyl-5-o-tolyl-thiazole-4-carboxylic acid
• 英文别名: 2-methyl-5-(2-methylphenyl)-4-thiazolecarboxylic acid；2-methyl-5-(2-methylphenyl)-1,3-thiazole-4-carboxylic acid
• CAS: 188679-26-7
• 化学式: C₁₂H₁₁NO₂S
• 分子量: 233.291
• InChiKey: LXUJKONOFALWTA-UHFFFAOYSA-N

物化性质

• 沸点：
  371.1±27.0 °C(Predicted)
• 密度：
  1.278±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  3.2
• 重原子数：
  16
• 可旋转键数：
  2
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.17
• 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：

  benzofuran-4-carboxylic acid [(1R*,2S*,5S*)-3-aza-bicyclo[3.1.0]hex-2-ylmethyl]-amide 、 2-methyl-5-o-tolyl-thiazole-4-carboxylic acid 生成 benzofuran-4-carboxylic acid [(1R*,2S*,5S*)-3-(2-methyl-5-o-tolyl-thiazole-4-carbonyl)-3-aza-bicyclo[3.1.0]hex-2-ylmethyl]-amide
  参考文献：
  名称：

  3-AZA-BICYCLO[3.1.0]HEXANE DERIVATIVES

  摘要：

  本发明涉及式(I)的3-aza-bicyclo [3.1.0]己烷衍生物，其中A，B，n，X和R1如描述中所述，以及其盐，并将其用作促进睡眠荷尔蒙受体拮抗剂。

  公开号：

  US20100016401A1
• 作为产物：
  描述：

  2-methyl-5-o-tolyl-thiazole-4-carboxylic acid methyl ester 在 sodium hydroxide 、 水 、 盐酸 作用下， 以 四氢呋喃 、 乙醇 、 水 为溶剂， 反应 3.0h， 生成 2-methyl-5-o-tolyl-thiazole-4-carboxylic acid
  参考文献：
  名称：

  [EN] TRANS-3-AZA-BICYCLO[3.1.0]HEXANE DERIVATIVES
  [FR] DÉRIVÉS DE TRANS-3-AZA-BICYCLO[3.1.0]HEXANE

  摘要：

  公开号：

  WO2009016560A3

文献信息

• 3-HETEROARYL (AMINO OR AMIDO)-1-(BIPHENYL OR PHENYLTHIAZOLYL) CARBONYLPIPERIDINE DERIVATIVES AS OREXIN RECEPTOR INHIBITORS
  申请人：Aissaoui Hamed

  公开号：US20100069418A1

  公开（公告）日：2010-03-18

  The invention relates to piperidine compounds of formula (I) wherein X-R 1 represents —N(H)-pyrimidinyl, wherein said pyrimidinyl is unsubstituted or mono-substituted wherein the substituent is selected from (C 1-4 )alkyl or halogen, or X-R 1 represents —NH—C(O)-heterocyclyl, wherein the heterocyclyl is selected from benzofuranyl and imidazo[2,1-b]-thiazolyl, wherein said heterocyclyl is unsubstituted or independently mono-, di-, or tri-substituted wherein the substituents are independently selected from (C 1-4 )alkyl; A represents a phenyl- or thiazolyl-group, wherein the phenyl or thiazolyl is unsubstituted or mono-substituted with (C 1-4 )alkyl; B represents a phenyl-group, wherein the phenyl is unsubstituted or mono-, or di-substituted, wherein the substituents are independently selected from the group consisting of (C 1-4 )alkyl, (C 1-4 )alkoxy, trifluoromethyl, cyano and halogen; to pharmaceutically acceptable salts thereof, and to the use of such compounds use as medicaments, especially as orexin receptor antagonists.

  该发明涉及式（I）的哌啶化合物，其中X-R1代表-N(H)-嘧啶基，其中所述的嘧啶基未取代或单取代，取代基选自（C1-4）烷基或卤素，或者X-R1代表-NH-C(O)-杂环基，其中所述的杂环基选自苯并呋喃基和咪唑[2,1-b]-噻唑基，其中所述的杂环基未取代或独立单取代、双取代或三取代，取代基独立选自（C1-4）烷基；A代表苯基或噻唑基，其中所述的苯基或噻唑基未取代或单取代为（C1-4）烷基；B代表苯基，其中所述的苯基未取代或单取代、双取代，取代基独立选自（C1-4）烷基、（C1-4）烷氧基、三氟甲基、氰基和卤素；以及其药学上可接受的盐，以及将这类化合物用作药物，特别是用作促觉醒素受体拮抗剂。
• [EN] PHENETHYLAMIDE DERIVATIVES AND THEIR HETEROCYCLIC ANALOGUES<br/>[FR] DÉRIVÉS DE PHÉNÉTHYLAMIDE ET LEURS ANALOGUES HÉTÉROCYCLIQUES
  申请人：ACTELION PHARMACEUTICALS LTD

  公开号：WO2010044054A1

  公开（公告）日：2010-04-22

  The invention relates to novel phenethylamide derivatives and their heterocyclic analogues of formula (I), wherein A, B, R1, R2 and R3 are as described in the application, and to the use of such compounds, or of pharmaceutically acceptable salts of such compounds, as medicaments, especially as orexin receptor antagonists.

  这项发明涉及新型苯乙酰胺衍生物及其异环类似物，其化学式为(I)，其中A、B、R1、R2和R3如申请中所述，并且涉及将这种化合物或这种化合物的药用可接受盐用作药物，特别是促进睡眠的药物受体拮抗剂。
• Azole-phenyl urea derivatives as ACAT inhibitors and their production
  申请人：NIHON NOHYAKU CO., LTD.

  公开号：EP0761658A1

  公开（公告）日：1997-03-12

  The present invention relates to azole-phenyl urea derivatives represented by the general formula (I): [wherein each of R1, R2 and R3 is H, halogen, C1-8alkyl or the like, and A is a group represented by the formula (i) or (ii): (wherein R4, R5, R6 and X are as defined in the specification.)] and a pharmacologically acceptable salt thereof, which have ACAT-inhibitory activity and are useful as a prophylactic and therapeutic agent for hypercholesterolemia, atherosclerosis and various diseases caused by them; a process for producing said derivative; and an ACAT inhibitor containing said derivative or salt as an active ingredient.

  本发明涉及一种由通式（I）表示的唑-苯基脲衍生物： [其中R1、R2和R3中的每一个是H、卤素、C1-8烷基或类似物，A是由式（i）或（ii）表示的基团： （其中R4、R5、R6和X如规范中定义。）]及其药理学上可接受的盐，具有ACAT抑制活性，并可用作高胆固醇血症、动脉粥样硬化及由其引起的各种疾病的预防和治疗剂；生产该衍生物的方法；以及含有该衍生物或盐作为活性成分的ACAT抑制剂。
• [EN] 2-(2-AZABICYCLO[3.1.0]HEXAN-1-YL)-1H-BENZIMIDAZOLE DERIVATIVES<br/>[FR] DÉRIVÉS DE 2-(2-AZABICYCLO [3.1.0] HEXAN-1-YL)-1H-BENZIMIDAZOLE
  申请人：IDORSIA PHARMACEUTICALS LTD

  公开号：WO2020007964A1

  公开（公告）日：2020-01-09

  The present invention relates to compounds of the Formula (I) wherein Ar1, R1, and (R5)n are as described in the description, to their preparation, to pharmaceutically acceptable salts thereof, and to their use as pharmaceuticals, to pharmaceutical compositions containing one or more compounds of Formula (I), and especially to their use as orexin receptor antagonists.

  本发明涉及式（I）的化合物，其中Ar1，R1和（R5）n如描述中所述，以及它们的制备，其药学上可接受的盐，以及它们作为药物的用途，包括含有一种或多种式（I）化合物的药物组合物，特别是它们作为促进睡眠的奥莱欣受体拮抗剂的用途。
• [EN] 7-TRIFLUOROMETHYL-[1,4]DIAZEPAN DERIVATIVES<br/>[FR] DÉRIVÉS DE 7-TRIFLUOROMÉTHYL-[1,4]DIAZÉPANE
  申请人：IDORSIA PHARMACEUTICALS LTD

  公开号：WO2020007977A1

  公开（公告）日：2020-01-09

  The present invention relates to compounds of the Formula (I) wherein X and Ar1 are as described in the description, to their preparation, to pharmaceutically acceptable salts thereof, and to their use as pharmaceuticals, to pharmaceutical compositions containing one or more compounds of Formula (I), and especially to their use as orexin receptor antagonists.

  本发明涉及式(I)的化合物，其中X和Ar1如描述中所述，它们的制备方法，其药学上可接受的盐，以及它们作为药物的用途，含有一个或多个式(I)化合物的药物组合物，特别是它们作为促进睡眠的药物。