Methyl 4-(2-chloro-4-fluorophenyl)-6-methyl-2-(1,3-thiazol-2-yl)pyrimidine-5-carboxylate

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 二嗪类
• 英文名称: Methyl 4-(2-chloro-4-fluorophenyl)-6-methyl-2-(1,3-thiazol-2-yl)pyrimidine-5-carboxylate
• 英文别名: methyl 4-(2-chloro-4-fluorophenyl)-6-methyl-2-(1,3-thiazol-2-yl)pyrimidine-5-carboxylate
• 化学式: C₁₆H₁₁ClFN₃O₂S
• 分子量: 363.8
• InChiKey: AUBLJIXCBKKLAM-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.6
• 重原子数：
  24
• 可旋转键数：
  4
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.12
• 拓扑面积：
  93.2
• 氢给体数：
  0
• 氢受体数：
  7

文献信息

• [EN] 6-BRIDGED HETEROARYLDIHYDROPYRIMIDINES FOR THE TREATMENT AND PROPHYLAXIS OF HEPATITIS B VIRUS INFECTION<br/>[FR] HÉTEROARYLDIHYDROPYRIMIDINES PONTÉES EN POSITION 6 POUR LE TRAITEMENT ET LA PROPHYLAXIE D'UNE INFECTION PAR LE VIRUS DE L'HÉPATITE B
  申请人：HOFFMANN LA ROCHE

  公开号：WO2014184328A1

  公开（公告）日：2014-11-20

  The invention provides novel compounds having the general formula: wherein R1, R2, R3 and R4 are as defined in the description and in the claims, as well as or pharmaceutically acceptable salts, or tautomerism isomers, or enantiomers, or diastereomers thereof. The invention also contains compositions including the compounds and methods of using the compounds for the treatment or prophylaxis of hepatitis B virus infection.

  该发明提供了具有以下一般式的新化合物：其中R1、R2、R3和R4如描述和权利要求中所定义，以及其药学上可接受的盐，或互变异构体，或对映异构体，或非对映异构体。该发明还包括含有这些化合物的组合物以及使用这些化合物用于治疗或预防乙型肝炎病毒感染的方法。
• [EN] NOVEL CHIRAL RESOLUTION OF 4-ARYL-2-THIAZOL-2-YL-1,4-DIHYDROPYRIMIDINE-5-CARBOXYLIC ACID ESTERS<br/>[FR] NOUVELLE RÉSOLUTION CHIRALE D'ESTERS D'ACIDE 4-ARYL-2-THIAZOL-2-YL-1,4-DIHYDROPYRIMIDIN-5-CARBOXYLIQUE
  申请人：HOFFMANN LA ROCHE

  公开号：WO2016016196A1

  公开（公告）日：2016-02-04

  The present invention relates to a process for the preparation of an enantiomerically pure of 4-phenyl-6-methyl-2-thiazol-2-yl-1,4-dihydropyrimidine-5-carboxylic acid ester of formula (la), wherein R1 is phenyl once, twice or more times substituted by halogen; R2 is C1_6alkyl.

  本发明涉及一种制备公式（la）中R1为苯基，经过卤素一次、两次或多次取代的对映纯的4-苯基-6-甲基-2-噻唑-2-基-1,4-二氢嘧啶-5-羧酸酯的过程；其中R2为C1_6烷基。
• [EN] 6-AMINO ACID HETEROARYLDIHYDROPYRIMIDINES FOR THE TREATMENT AND PROPHYLAXIS OF HEPATITIS B VIRUS INFECTION<br/>[FR] HÉTÉROARYLDIHYDROPYRIMIDINES D'ACIDE 6-AMINÉ POUR LE TRAITEMENT ET LA PROPHYLAXIE D'UNE INFECTION PAR LE VIRUS DE L'HÉPATITE B
  申请人：HOFFMANN LA ROCHE

  公开号：WO2014037480A1

  公开（公告）日：2014-03-13

  The invention provides novel compounds having the general formula:, wherein R1, R2, R3, R4 and A are as described herein, compositions including the compounds and methods of using the compounds.

  这项发明提供了具有一般式的新化合物：其中R1、R2、R3、R4和A如本文所述，包括这些化合物的组合物以及使用这些化合物的方法。
• [EN] PROCESS FOR THE PREPARATION OF 4-PHENYL-5-ALKOXYCARBONYL-2-THIAZOL-2-YL-1,4-DIHYDROPYRIMIDIN-6-YL]METHYL]-3-OXO-5,6,8,8A-TETRAHYDRO-1H-IMIDAZO[1,5-A]PYRAZIN-2-YL]-CARBOXYLIC ACID<br/>[FR] PROCÉDÉ DE PRÉPARATION D'ACIDE 4-PHÉNYL-5-ALCOXYCARBONYL-2-THIAZOL-2-YL-1,4-DIHYDROPYRIMIDIN-6-YL]MÉTHYL]-3-OXO-5,6,8,8A-TÉTRAHYDRO-1H-IMIDAZO[1,5-A]PYRAZIN-2-YL]-CARBOXYLIQUE
  申请人：HOFFMANN LA ROCHE

  公开号：WO2017140750A1

  公开（公告）日：2017-08-24

  The present invention relates to a process for synthesizing a compound of formula (I), R1 is phenyl, which is unsubstituted or substituted with one, two or three substituents independently selected from halogen and C1-6alkyl; R2 is C1-6alkyl; R3 is -CxH2x-; x is 1, 2, 3, 6 or 7; or pharmaceutically acceptable salt or diastereomer thereof, which is useful for prophylaxis and treatment of a viral disease in a patient relating to hepatitis B infection or a disease caused by hepatitis B infection.

  本发明涉及一种合成化合物的方法，该化合物的结构式为(I)，其中R1是苯基，未取代或取代为一个、两个或三个独立选择自卤素和C1-6烷基的取代基；R2是C1-6烷基；R3是-CxH2x-；x为1、2、3、6或7；或其药用可接受盐或二对映异构体，用于预防和治疗与乙型肝炎感染相关的病毒性疾病或由乙型肝炎感染引起的疾病。
• [EN] PROCESS FOR THE PREPARATION OF 4-PHENYL-5-ALKOXYCARBONYL-2-THIAZOL-2-YL-1,4-DIHYDROPYRIMIDINE ANALOGUES<br/>[FR] PROCÉDÉ DE PRÉPARATION D'ANALOGUES DE 4-PHÉNYL-5-ALCOXYCARBONYL-2-THIAZOL-2-YL-1,4-DIHYDROPYRIMIDINE
  申请人：HOFFMANN LA ROCHE

  公开号：WO2016102438A1

  公开（公告）日：2016-06-30

  The present invention relates to a process for synthesizing a compound of formula (I), (I), wherein R1 is phenyl, which is unsubstituted, or once, twice or three times substituted by halogen; R2 is C1-6alkyl; R3 is heterocyclyl; and diastereomer, pharmaceutically acceptable salts thereof, which is useful for prophylaxis and treatment of a viral disease in a patient relating to hepatitis B infection or a disease caused by hepatitis B infection.

  本发明涉及一种合成化合物的方法，该化合物的化学式为(I)，其中R1为苯基，未被取代，或者被卤素取代一次、两次或三次；R2为C1-6烷基；R3为杂环烷基；以及该化合物的对映体、药学上可接受的盐，用于预防和治疗与乙型肝炎感染有关的病毒疾病或由乙型肝炎感染引起的疾病的方法。