5-(2-methoxy-phenyl)-2-methyl-thiazole-4-carboxylic acid | 1017273-11-8

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 唑类
• 英文名称: 5-(2-methoxy-phenyl)-2-methyl-thiazole-4-carboxylic acid
• 英文别名: 2-methyl-5-(2-methoxy-phenyl)-thiazole-4-carboxylic acid；5-(2-methoxyphenyl)-2-methyl-1,3-thiazole-4-carboxylic acid
• CAS: 1017273-11-8
• 化学式: C₁₂H₁₁NO₃S
• 分子量: 249.29
• InChiKey: OUSVKEKYXZOUNL-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.8
• 重原子数：
  17
• 可旋转键数：
  3
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.17
• 拓扑面积：
  87.7
• 氢给体数：
  1
• 氢受体数：
  5

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 、 5-(2-methoxy-phenyl)-2-methyl-thiazole-4-carboxylic acid 生成 benzofuran-4-carboxylic acid {(1R*,2S*,5S*)-3-[5-(2-methoxy-phenyl)-2-methyl-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

文献信息

• THIAZOLIDINE DERIVATIVES AS OREXIN RECEPTOR ANTAGONISTS
  申请人：Aissaoui Hamed

  公开号：US20100113531A1

  公开（公告）日：2010-05-06

  The invention relates to novel thiazolidine derivatives of the formula (I) wherein A and R 1 are as described in the description and their use as medicaments, especially as orexin receptor antagonists.

  本发明涉及式(I)的新噻唑啉衍生物，其中A和R1如描述中所述，以及它们作为药物的使用，尤其是作为食欲素受体拮抗剂的使用。
• [EN] THIAZOLIDINE COMPOUNDS AS OREXIN RECEPTOR ANTAGONISTS<br/>[FR] COMPOSÉS THIAZOLIDINES EN TANT QU'ANTAGONISTES DES RÉCEPTEURS DE L'OREXINE
  申请人：ACTELION PHARMACEUTICALS LTD

  公开号：WO2010004507A1

  公开（公告）日：2010-01-14

  The invention relates to thiazolidine derivatives of the formula (I) wherein A, B, and R1 are as described in the description, to salts, especially pharmaceutically acceptable salts, of such compounds and to their use as medicaments, especially as orexin receptor antagonists.

  这项发明涉及式(I)的噻唑啉衍生物，其中A、B和R1如描述中所述，以及这些化合物的盐，特别是药学上可接受的盐，以及它们作为药物的用途，特别是作为促进睡眠的药物受体拮抗剂。
• 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。
• THIAZOLIDINE COMPOUNDS AS OREXIN RECEPTOR ANTAGONISTS
  申请人：Aissaoui Hamed

  公开号：US20110105491A1

  公开（公告）日：2011-05-05

  The invention relates to thiazolidine derivatives of the formula (I) wherein A, B, and R 1 are as described in the description, to salts, especially pharmaceutically acceptable salts, of such compounds and to their use as medicaments, especially as orexin receptor antagonists.

  这项发明涉及式(I)的噻唑啉衍生物，其中A、B和R1如描述中所述，以及这些化合物的盐，特别是药用可接受的盐，以及它们作为药物的用途，特别是作为促进睡眠的药物受体拮抗剂。
• [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。