5-(2-methoxy-phenyl)-2-methyl-thiazole-4-carboxylic acid methyl ester | 1017272-95-5

• 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 methyl ester
• 英文别名: methyl 5-(2-methoxyphenyl)-2-methyl-1,3-thiazole-4-carboxylate
• CAS: 1017272-95-5
• 化学式: C₁₃H₁₃NO₃S
• mdl: MFCD18455282
• 分子量: 263.317
• InChiKey: RGFILDNTUSJXKF-UHFFFAOYSA-N

物化性质

• 沸点：
  381.0±32.0 °C(Predicted)
• 密度：
  1?+-.0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  3.2
• 重原子数：
  18
• 可旋转键数：
  4
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.23
• 拓扑面积：
  76.7
• 氢给体数：
  0
• 氢受体数：
  5

反应信息

• 作为产物：
  描述：

  3-chloro-3-(2-methoxy-phenyl)-2-oxo-propionic acid methyl ester 、 硫代乙酰胺 生成 5-(2-methoxy-phenyl)-2-methyl-thiazole-4-carboxylic acid methyl ester
  参考文献：
  名称：

  THIAZOLIDINE DERIVATIVES AS OREXIN RECEPTOR ANTAGONISTS

  摘要：

  该发明涉及公式（I）中的新型噻唑啉衍生物，其中A和R1如描述所述，并且它们的用途作为药物，特别是作为促进睡眠的药物。

  公开号：

  US20100113531A1

文献信息

• [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。
• 3-AZA-BICYCLO[3.1.0]HEXANE DERIVATIVES
  申请人：Aissaoui Hamed

  公开号：US20100016401A1

  公开（公告）日：2010-01-21

  The invention relates to 3-aza-bicyclo[3.1.0]hexane derivatives of formula (I) wherein A, B, n, X, and R 1 are as described in the description, and salts thereof, and their use as orexin receptor antagonists.

  这项发明涉及式(I)的3-aza-双环[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，以及它们作为促进睡眠的荷尔蒙受体拮抗剂的用途。
• 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。
• 3-heteroaryl (amino or amido)-1-(biphenyl or phenylthiazolyl) carbonylpiperidine derivatives as orexin receptor inhibitors
  申请人：Actelion Pharmaceuticals Ltd.

  公开号：US08133901B2

  公开（公告）日：2012-03-13

  The invention relates to piperidine compounds of formula (I): wherein X—R1 represents —N(H)-pyrimidinyl, wherein said pyrimidinyl is unsubstituted or mono-substituted wherein the substituent is selected from (C1-4)alkyl or halogen, or X—R1 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 (C1-4)alkyl; A represents a phenyl- or thiazolyl-group, wherein the phenyl or thiazolyl is unsubstituted or mono-substituted with (C1-4)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 (C1-4)alkyl, (C1-4)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.

  本发明涉及式(I)的哌啶化合物：其中X - R1表示 -N（H）-嘧啶基，其中所述的嘧啶基未取代或单取代，所述取代基从（C1-4）烷基或卤素中选择；或X-R1表示-NH-C（O）-杂环基，所述杂环基从苯并呋喃基和咪唑[2,1-b]-噻唑基中选择，所述杂环基未取代或独立单取代，二取代或三取代，所述取代基独立选择自（C1-4）烷基；A表示苯基或噻唑基，其中苯基或噻唑基未取代或单取代，所述取代基独立选择自（C1-4）烷基；B表示苯基，其中苯基未取代或单取代或二取代，所述取代基独立选择自（C1-4）烷基，（C1-4）烷氧基，三氟甲基，氰基和卤素中的一种或多种；以及其制成的药学上可接受的盐，并将此类化合物用作药物，特别是用作促进睡眠的药物。