4-[chloro(difluoro)methyl]-1H-pyrazole-5-carboxylic acid

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 唑类
• 英文名称: 4-[chloro(difluoro)methyl]-1H-pyrazole-5-carboxylic acid
• 化学式: C₅H₃ClF₂N₂O₂
• 分子量: 196.54
• InChiKey: ZQTSAEWAFVRYDI-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.2
• 重原子数：
  12
• 可旋转键数：
  2
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.2
• 拓扑面积：
  66
• 氢给体数：
  2
• 氢受体数：
  5

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。
• 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：EP2961749A1

  公开（公告）日：2016-01-06
• BACE1 INHIBITORS
  申请人：F.Hoffmann-La Roche AG

  公开号：EP2984086A1

  公开（公告）日：2016-02-17
• [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.