1-(3-tert-butyl-phenyl)-cyclohexylamine | 676135-74-3

• 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: 1-(3-tert-butyl-phenyl)-cyclohexylamine
• 英文别名: 1-(3-tert-butylphenyl)cyclohexan-1-amine
• CAS: 676135-74-3
• 化学式: C₁₆H₂₅N
• 分子量: 231.381
• InChiKey: AWDANHMPXNOZOE-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.1
• 重原子数：
  17
• 可旋转键数：
  2
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.62
• 拓扑面积：
  26
• 氢给体数：
  1
• 氢受体数：
  1

反应信息

• 作为反应物：
  描述：

  [(1S)-2-(3,5-二氟苯基)-1-[(2S)-环氧乙烷基]乙基]氨基甲酸叔丁酯 、 1-(3-tert-butyl-phenyl)-cyclohexylamine 在 N,N-二异丙基乙胺 作用下， 以 异丙醇 为溶剂， 以60%的产率得到tert-butyl N-[(2S,3R)-4-[[1-(3-tert-butylphenyl)cyclohexyl]amino]-1-(3,5-difluorophenyl)-3-hydroxybutan-2-yl]carbamate
  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
• 作为产物：
  描述：

  1-(1-azido-cyclohexyl) 3-tert-butyl-benzene 在 palladium 10% on activated carbon 氢气 、 溶剂黄146 作用下， 以 乙醇 为溶剂， 反应 3.5h， 生成 1-(3-tert-butyl-phenyl)-cyclohexylamine
  参考文献：
  名称：

  [EN] SUBSTITUTED UREA AND CARBAMATE, PHENACYL-2-HYDROXY-3-DIAMINOALKANE, AND BENZAMIDE-2-HYDROXY-3-DIAMINOALKANE ASPARTYL-PROTEASE INHIBITORS
  [FR] UREE ET CARBAMATE SUBSTITUES, PHENACYL-2-HYDROXY-3-DIAMINOALCANE, ET BENZAMIDE-2-HYDROXY-3-DIAMINOALCANE INHIBITEURS D'ASPARTYL-PROTEASE

  摘要：

  这项发明涉及乙酰2-羟基-1,3-二氨基螺环己烷及其衍生物，可用于治疗与淀粉样变性相关的至少一种疾病、紊乱和病况。淀粉样变性指与A-beta蛋白异常沉积相关的一系列疾病、紊乱和病况。

  公开号：

  WO2005087215A1

文献信息

• [EN] METHODS OF TREATMENT OF AMYLOIDOSIS USING ASPARTYL-PROTEASE INIHIBITORS<br/>[FR] PROCEDES DE TRAITEMENT D'AMYLOIDOSE UTILISANT DES INHIBITEURS DE PROTEASE ASPARTYLE
  申请人：ELAN PHARM INC

  公开号：WO2005070407A1

  公开（公告）日：2005-08-04

  The invention relates to acetyl 2-hydroxy-1,3-diaminospirocyclohexanes and derivatives thereof that are useful in 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.

  这项发明涉及乙酰2-羟基-1,3-二氨基螺环己烷及其衍生物，可用于治疗与淀粉样变性相关的疾病、疾病和症状。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。
• [EN] SUBSTITUTED UREA AND CARBAMATE, PHENACYL-2-HYDROXY-3-DIAMINOALKANE, AND BENZAMIDE-2-HYDROXY-3-DIAMINOALKANE ASPARTYL-PROTEASE INHIBITORS<br/>[FR] UREE ET CARBAMATE SUBSTITUES, PHENACYL-2-HYDROXY-3-DIAMINOALCANE, ET BENZAMIDE-2-HYDROXY-3-DIAMINOALCANE INHIBITEURS D'ASPARTYL-PROTEASE
  申请人：ELAN PHARM INC

  公开号：WO2005087215A1

  公开（公告）日：2005-09-22

  The invention relates to acetyl 2-hydroxy-1,3-diaminospirocyclohexanes and derivatives thereof that are useful in treating at least one disease, disorder, and condition associated with amyloidosis. Amyloidosis refers to a collection of diseases, disorders, and condition associated with abnormal deposition of A-beta protein.

  这项发明涉及乙酰2-羟基-1,3-二氨基螺环己烷及其衍生物，可用于治疗与淀粉样变性相关的至少一种疾病、紊乱和病况。淀粉样变性指与A-beta蛋白异常沉积相关的一系列疾病、紊乱和病况。
• 2-Amino- and 2-thio- substituted 1,3-diaminopropanes
  申请人：Hom Roy

  公开号：US20050267199A1

  公开（公告）日：2005-12-01

  Disclosed are compounds of the formula: where variables Q, Z, X, R 15 , R 2 , R 3 , and R c are defined herein. Compounds disclosed herein are inhibitors of the beta-secretase enzyme and are therefore useful in the treatment of Alzheimer's disease and other diseases characterized by deposition of A beta peptide in a mammal.

  本发明揭示了以下式子的化合物：其中变量Q、Z、X、R15、R2、R3和R4在此定义。本发明揭示的化合物是β-分泌酶酶的抑制剂，因此在治疗老年痴呆症和其他以哺乳动物体内A beta 肽沉积为特征的疾病中有用。
• Acetyl 2-hydroxy-1, 3-diaminoalkanes
  申请人：——

  公开号：US20040180939A1

  公开（公告）日：2004-09-16

  Disclosed are compounds of the formula: 1 where variables Z, X, R 15 , R 2 , R 3 , and R c are defined herein. Compounds disclosed herein are inhibitors of the beta-secretase enzyme and are therefore useful in the treatment of Alzheimer's disease and other diseases characterized by deposition of A beta peptide in a mammal.

  本发明揭示了公式1的化合物：其中变量Z、X、R15、R2、R3和Rc的定义如下。本发明所揭示的化合物是β-分泌酶酶的抑制剂，因此在治疗老年痴呆症和其他以A beta肽在哺乳动物中沉积为特征的疾病方面有用。
• ETHANOLAMINE DERIVATIVES USEFUL AS BACE INHIBITORS
  申请人：Frederiksen Mathias

  公开号：US20100144741A1

  公开（公告）日：2010-06-10

  The invention relates to novel cyclic compounds of the formula (I), in free base form or in acid addition salt form, to their preparation, to their use as medicaments and to medicaments comprising them.

  本发明涉及一种新型环状化合物，其化学式为(I)，可以是自由碱形式或酸盐形式，涉及其制备方法、作为药物的用途以及包含它们的药物。