N-(6-((4S,6S)-2-amino-4-methyl-6-(trifluoromethyl)-5,6-dihydro-4H-1,3-oxazin-4-yl)-5-fluoropyridin-2-yl)-4-chloro-1-(difluoromethyl)-1H-pyrazole-3-carboxamide | 1624603-90-2

• 分子结构分类: 有机化合物 - 有机酸及其衍生物 - 羧酸及其衍生物
• 英文名称: N-(6-((4S,6S)-2-amino-4-methyl-6-(trifluoromethyl)-5,6-dihydro-4H-1,3-oxazin-4-yl)-5-fluoropyridin-2-yl)-4-chloro-1-(difluoromethyl)-1H-pyrazole-3-carboxamide
• 英文别名: N-[6-[(4S,6S)-2-amino-4-methyl-6-(trifluoromethyl)-5,6-dihydro-1,3-oxazin-4-yl]-5-fluoropyridin-2-yl]-4-chloro-1-(difluoromethyl)pyrazole-3-carboxamide
• CAS: 1624603-90-2
• 化学式: C₁₆H₁₃ClF₆N₆O₂
• 分子量: 470.762
• InChiKey: QULLJJPMSGZADZ-AYVTZFPOSA-N

物化性质

• 密度：
  1.73±0.1 g/cm3(Temp: 20 °C; Press: 760 Torr)(predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  3
• 重原子数：
  31
• 可旋转键数：
  4
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.38
• 拓扑面积：
  107
• 氢给体数：
  2
• 氢受体数：
  11

反应信息

• 作为产物：
  描述：

  4-chloro-1-(difluoromethyl)-1H-pyrazole-3-carboxylic acid 生成 N-(6-((4S,6S)-2-amino-4-methyl-6-(trifluoromethyl)-5,6-dihydro-4H-1,3-oxazin-4-yl)-5-fluoropyridin-2-yl)-4-chloro-1-(difluoromethyl)-1H-pyrazole-3-carboxamide
  参考文献：
  名称：

  PERFLUORINATED 5,6-DIHYDRO-4H-1,3-OXAZIN-2-AMINE COMPOUNDS AS BETA-SECRETASE INHIBITORS AND METHODS OF USE

  摘要：

  本发明提供了一类新的化合物，用于调节β-分泌酶（BACE）活性。这些化合物的通用公式为I： 其中变量A4，A5，A6，A8，公式I中的R1和R2，R3和R7各自独立定义如下。本发明还提供了包含这些化合物的药物组合物，以及使用这些化合物和组合物治疗与A-β斑块形成和沉积相关的疾病和/或状况，这些疾病和/或状况是由BACE的生物活性引起的。这样的BACE介导的疾病包括，例如，阿尔茨海默病，认知缺陷，认知障碍，精神分裂症和其他中枢神经系统疾病。本发明进一步提供了公式II和III的化合物，以及其子公式的实施例，中间体和用于制备公式I-III化合物的过程和方法。

  公开号：

  US20140249104A1

文献信息

• [EN] BACE1 INHIBITORS<br/>[FR] INHIBITEURS DE BACE1
  申请人：HOFFMANN LA ROCHE

  公开号：WO2014166906A1

  公开（公告）日：2014-10-16

  The present invention provides a compound of formula I having BACE1 inhibitory activity, their manufacture, pharmaceutical compositions containing them and their use as therapeutically active substances. The active compounds of the present invention are useful in the therapeutic and/or prophylactic treatment of e.g. Alzheimer's disease.

  本发明提供一种具有BACE1抑制活性的化合物，其化学式为I，以及它们的制备方法、含有它们的药物组合物以及它们作为治疗活性物质的用途。本发明的活性化合物在治疗和/或预防治疗例如阿尔茨海默病等疾病中是有用的。
• BACE1 INHIBITORS
  申请人：HOFFMANN-LA ROCHE INC.

  公开号：US20160052920A1

  公开（公告）日：2016-02-25

  The present invention provides a compound of formula I having BACE1 inhibitory activity, their manufacture, pharmaceutical compositions containing them and their use as therapeutically active substances. The active compounds of the present invention are useful in the therapeutic and/or prophylactic treatment of e.g. Alzheimer's disease.

  本发明提供了一种具有BACE1抑制活性的I型化合物，其制备方法，包含其的制药组合物以及其作为治疗活性物质的用途。本发明的活性化合物可用于治疗和/或预防例如阿尔茨海默病等疾病。
• US9296734B2
  申请人：——

  公开号：US9296734B2

  公开（公告）日：2016-03-29
• [EN] PERFLUORINATED 5,6-DIHYDRO-4H-1,3-OXAZIN-2-AMINE COMPOUNDS AS BETA-SECRETASE INHIBITORS AND METHODS OF USE<br/>[FR] COMPOSÉS PERFLUORÉS 5,6-DIHYDRO-4H-1,3-OXAZINE-2-AMINE SUBSTITUÉS EN TANT QU'INHIBITEURS DE LA BÊTA-SÉCRÉTASE ET PROCÉDÉS D'UTILISATION CORRESPONDANTS
  申请人：AMGEN INC

  公开号：WO2014134341A1

  公开（公告）日：2014-09-04

  The present invention provides a new class of compounds useful for the modulation of beta-secretase enzyme (BACE) activity. The compounds have a general Formula (I): wherein variables A4, A5, A6, A8, each of R1 and R2, R3 and R7 of Formula I, independently, are defined herein. The invention also provides pharmaceutical compositions comprising the compounds, and corresponding uses of the compounds and compositions for treatment of disorders and/or conditions related to A-beta plaque formation and deposition, resulting from the biological activity of BACE. Such BACE mediated disorders include, for example, Alzheimer's Disease, cognitive deficits, cognitive impairments, schizophrenia and other central nervous system conditions. The invention further provides compounds of Formulas II and III, and sub-formula embodiments thereof, intermediates and processes and methods useful for the preparation of compounds of Formulas I-III.
• PERFLUORINATED 5,6-DIHYDRO-4H-1,3-OXAZIN-2-AMINE COMPOUNDS AS BETA-SECRETASE INHIBITORS AND METHODS OF USE
  申请人：AMGEN INC.

  公开号：US20140249104A1

  公开（公告）日：2014-09-04

  The present invention provides a new class of compounds useful for the modulation of beta-secretase enzyme (BACE) activity. The compounds have a general Formula I: wherein variables A 4 , A 5 , A 6 , A 8 , each of R 1 and R 2 , R 3 and R 7 of Formula I, independently, are defined herein. The invention also provides pharmaceutical compositions comprising the compounds, and corresponding uses of the compounds and compositions for treatment of disorders and/or conditions related to A-beta plaque formation and deposition, resulting from the biological activity of BACE. Such BACE mediated disorders include, for example, Alzheimer's Disease, cognitive deficits, cognitive impairments, schizophrenia and other central nervous system conditions. The invention further provides compounds of Formulas II and III, and sub-formula embodiments thereof, intermediates and processes and methods useful for the preparation of compounds of Formulas I-III.

  本发明提供了一类新的化合物，用于调节β-分泌酶（BACE）活性。这些化合物的通用公式为I： 其中变量A4，A5，A6，A8，公式I中的R1和R2，R3和R7各自独立定义如下。本发明还提供了包含这些化合物的药物组合物，以及使用这些化合物和组合物治疗与A-β斑块形成和沉积相关的疾病和/或状况，这些疾病和/或状况是由BACE的生物活性引起的。这样的BACE介导的疾病包括，例如，阿尔茨海默病，认知缺陷，认知障碍，精神分裂症和其他中枢神经系统疾病。本发明进一步提供了公式II和III的化合物，以及其子公式的实施例，中间体和用于制备公式I-III化合物的过程和方法。