[5-(3-tert-butyl-phenyl)-4,5,6,7-tetrahydro-2H-indazol-5-yl]-carbamic acid tert-butyl ester | 874198-93-3

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: [5-(3-tert-butyl-phenyl)-4,5,6,7-tetrahydro-2H-indazol-5-yl]-carbamic acid tert-butyl ester
• 英文别名: Tert-butyl 5-(3-tert-butylphenyl)-4,5,6,7-tetrahydro-2H-indazol-5-ylcarbamate；tert-butyl N-[5-(3-tert-butylphenyl)-1,4,6,7-tetrahydroindazol-5-yl]carbamate
• CAS: 874198-93-3
• 化学式: C₂₂H₃₁N₃O₂
• 分子量: 369.507
• InChiKey: WJVVUYJSCXBUNQ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.6
• 重原子数：
  27
• 可旋转键数：
  5
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.55
• 拓扑面积：
  67
• 氢给体数：
  2
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  [5-(3-tert-butyl-phenyl)-4,5,6,7-tetrahydro-2H-indazol-5-yl]-carbamic acid tert-butyl ester 在 盐酸 作用下， 以 1,4-二氧六环 为溶剂， 反应 4.0h， 以96%的产率得到5-(3-tert-butyl-phenyl)-4,5,6,7-tetrahydro-2H-indazol-5-ylamine
  参考文献：
  名称：

  [EN] OXIME DERIVATIVE HYDROXYETHYLAMINE ASPARTYL-PROTEASE INHIBITORS
  [FR] INHIBITEURS D'ASPARTYL-PROTEASE D'HYDROXYETHYLAMINE DERIVEE DES OXIMES

  摘要：

  该发明涉及新化合物和治疗与淀粉样变性相关的疾病、疾病和症状的方法。淀粉样变性是指与A-beta蛋白异常沉积相关的一系列疾病、疾病和症状。

  公开号：

  WO2006010094A1
• 作为产物：
  描述：

  [1-(3-tert-Butyl-phenyl)-3-dimethylaminomethylene-4-oxo-cyclohexyl]-carbamic acid tert-butyl ester 在 一水合肼 、 溶剂黄146 作用下， 以 乙醇 为溶剂， 生成 [5-(3-tert-butyl-phenyl)-4,5,6,7-tetrahydro-2H-indazol-5-yl]-carbamic acid tert-butyl ester
  参考文献：
  名称：

  Design and synthesis of cell potent BACE-1 inhibitors: Structure–activity relationship of P1′ substituents

  摘要：

  Using structure-guided design, hydroxyethylamine BACE-1 inhibitors were optimized to nanomolar A beta cellular inhibition with selectivity against cathepsin-D. X-ray crystallography illuminated the S1' residues critical to this effort, which culminated in compounds 56 and 57 that exhibited potency and selectivity but poor permeability and high P-gp efflux. (C) 2009 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2009.09.061

文献信息

• [EN] OXIME DERIVATIVE HYDROXYETHYLAMINE ASPARTYL-PROTEASE INHIBITORS<br/>[FR] INHIBITEURS D'ASPARTYL-PROTEASE D'HYDROXYETHYLAMINE DERIVEE DES OXIMES
  申请人：ELAN PHARM INC

  公开号：WO2006010094A1

  公开（公告）日：2006-01-26

  The invention relates to novel compounds and methods of treating diseases, disorders, and conditions associated with amyloidosis. Amyloidosis refers to a collection of diseases, disorders, and conditions associated with abnormal deposition of A-beta protein.

  该发明涉及新化合物和治疗与淀粉样变性相关的疾病、疾病和症状的方法。淀粉样变性是指与A-beta蛋白异常沉积相关的一系列疾病、疾病和症状。
• Oxime derivative hydroxyethylamine aspartyl-protease inhibitors
  申请人：Sealy Jennifer

  公开号：US20060128715A1

  公开（公告）日：2006-06-15

  The invention relates to novel compounds and methods of treating diseases, disorders, and conditions associated with amyloidosis. Amyloidosis refers to a collection of diseases, disorders, and conditions associated with abnormal deposition of A-beta protein.

  本发明涉及新型化合物和治疗与淀粉样变相关的疾病、疾病和病况的方法。淀粉样变是指与A-beta蛋白的异常沉积有关的一系列疾病、疾病和病况的集合。
• Oxime derivative substituted hydroxyethylamine aspartyl protease inhibitors
  申请人：John Varghese

  公开号：US20060135581A1

  公开（公告）日：2006-06-22

  The invention relates to novel compounds and methods of treating diseases, disorders, and conditions associated with amyloidosis. Amyloidosis refers to a collection of diseases, disorders, and conditions associated with abnormal deposition of A-beta protein.

  该发明涉及新型化合物和治疗与淀粉样变性相关的疾病、疾病和病情的方法。淀粉样变性是指与A-beta蛋白的异常沉积相关的一系列疾病、疾病和病情的集合。
• OXIME DERIVATIVE SUBSTITUTED HYDROXYETHYLAMINE ASPARTYL PROTEASE INHIBITORS
  申请人：John Varghese

  公开号：US20090042961A1

  公开（公告）日：2009-02-12

  The invention relates to novel compounds and methods of treating diseases, disorders, and conditions associated with amyloidosis. Amyloidosis refers to a collection of diseases, disorders, and conditions associated with abnormal deposition of A-beta protein.

  该发明涉及新型化合物和治疗与淀粉样变性相关的疾病、障碍和病状的方法。淀粉样变性是指与A-beta蛋白异常沉积相关的一组疾病、障碍和病状。
• [EN] OXIME DERIVATIVE SUBSTITUTED HYDROXYETHYLAMINE ASPARTYL PROTEASE INHIBITORS<br/>[FR] INHIBITEURS D'UNE ASPARTYL PROTEASE DE TYPE HYDROXYETHYLAMINE SUBSTITUEE PAR UN DERIVE D'OXIME
  申请人：ELAN PHARM INC

  公开号：WO2006010095A3

  公开（公告）日：2006-06-08