N-benzyl-1-fluoropropan-2-amine | 145549-91-3

• 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: N-benzyl-1-fluoropropan-2-amine
• CAS: 145549-91-3
• 化学式: C₁₀H₁₄FN
• 分子量: 167.226
• InChiKey: QDEDQSVMGQWILD-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.3
• 重原子数：
  12
• 可旋转键数：
  4
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.4
• 拓扑面积：
  12
• 氢给体数：
  1
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  N-benzyl-1-fluoropropan-2-amine 、 2-(4-((oxiran-2-yl)methoxy)phenyl)-6-methoxy-3-methylquinazolin-4(3H)-one 以 甲醇 为溶剂， 反应 120.0h， 生成
  参考文献：
  名称：

  Synthesis and in vitro evaluation of derivatives of the β1-adrenergic receptor antagonist HX-CH 44

  摘要：

  Isopropyl- and fluoroisopropyl-amino derivatives of the beta(1)-adrenergic receptor antagonist 2-[4-[3-(tert-butyl-amino)-2-hydroxypropoxy]phenyl]-3-methyl-6-methoxy-4(3H)-quinazolinone ((+/-) HX-CH 44) were synthesized, including a concise and efficient preparation of the core, 2-(4-hydroxyphenyl)-6-methoxy-3-methylquinazolin-4(3H)-one. In vitro binding assays showed that the fluorinated analog was selective towards beta(1)-adrenergic receptors over beta(2)-adrenergic and 5-HT1A receptors. An X-ray crystallographic characterization of the fluorinated analog is also reported. (C) 2011 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2011.06.106
• 作为产物：
  描述：

  苄胺 、 氟代丙酮 、 三乙酰氧基硼氢化钠 、 溶剂黄146 在 二氯甲烷 、 magnesium sulfate 、 crude product 、 SiO2 、 methanol-dichloromethane 作用下， 以 水 、 1,2-二氯乙烷 为溶剂， 反应 3.0h， 以to afford 6.2 g (70.5%) of N-benzyl-1-fluoropropan-2-amine (230)的产率得到N-benzyl-1-fluoropropan-2-amine
  参考文献：
  名称：

  Serine/threonine kinase inhibitors

  摘要：

  具有I式的化合物，其中Z，Z1，Z2，Z3，R3a，R3b和Rb如本文所定义，是ERK激酶的抑制剂。还揭示了用于治疗过度增殖性疾病的组合物和方法。

  公开号：

  US09133187B2

文献信息

• [EN] SERINE/THREONINE KINASE INHIBITORS<br/>[FR] INHIBITEURS DE SÉRINE/THRÉONINE KINASE
  申请人：ARRAY BIOPHARMA INC

  公开号：WO2012118850A1

  公开（公告）日：2012-09-07

  Compounds having the formula I wherein Z, Z1 Z2 Z3, R3a, R3b and Rb and as defined herein are inhibitors of ERK kinase. Also disclosed are compositions and methods for treating hyperproliferative disorders.

  具有公式I的化合物，其中Z，Z1，Z2，Z3，R3a，R3b和Rb如本文所定义，是ERK激酶抑制剂。还公开了用于治疗过度增殖性疾病的组合物和方法。
• Spiropiperidine beta-secretase inhibitors for the treatment of Alzheimer's disease
  申请人：Coburn A. Craig

  公开号：US20070021454A1

  公开（公告）日：2007-01-25

  The present invention is directed to spiropiperidine compounds of formula (I) and tautomers thereof, which are inhibitors of the beta-secretase enzyme and that are useful in the treatment of diseases in which the beta-secretase enzyme is involved, such as Alzheimer's disease. The invention is also directed to pharmaceutical compositions comprising these compounds and the use of these compounds and compositions in the treatment of such diseases in which the beta-secretase enzyme is involved.

  本发明涉及式（I）及其互变异构体的螺环吡啶化合物，这些化合物是β-分泌酶酶的抑制剂，并且在治疗β-分泌酶酶参与的疾病，如阿尔茨海默病方面是有用的。本发明还涉及包括这些化合物的制药组合物以及在治疗β-分泌酶酶参与的这些疾病中使用这些化合物和组合物的用途。
• SERINE/THREONINE KINASE INHIBITORS
  申请人：Blake James F.

  公开号：US20130338140A1

  公开（公告）日：2013-12-19

  Compounds having the formula I wherein Z, Z 1 Z 2 Z, R 3a , R 3b and R b and as defined herein are inhibitors of ERK kinase. Also disclosed are compositions and methods for treating hyperproliferative disorders.

  具有I式的化合物，在此式中Z，Z1Z2Z，R3a，R3b和R3c的定义为ERK激酶的抑制剂。还披露了治疗过度增殖性疾病的组合物和方法。
• Facile Radiosynthesis of Fluorine-18 Labeled β-Blockers. Synthesis, Radiolabeling, and ex Vivo Biodistribution of [¹⁸F]-(2<i>S</i> and 2<i>R</i>)-1-(1-Fluoropropan-2-ylamino)-3-(<i>m</i>-tolyloxy)propan-2-ol
  作者：Karin A. Stephenson、Alan A. Wilson、Jeffrey H. Meyer、Sylvain Houle、Neil Vasdev

  DOI：10.1021/jm800227h

  日期：2008.8.1

  An efficient and genral method has been developed for fluorine-18 labeling of beta-blockers that possess the propanolamine moiety. A new synthetically versatile intermediate, 3-(1-(benzyloxy)propan-2-yl)-2-oxoox-azolidin-5-yl)methyl 4-methylbenzenesulfonate (13), was prepared and can be conjugated to any phenoxy core. To demonstrate the synthetic methodology, fluorinated derivatives of toliprolol were prepared, namely, [(18)F]-(2S and 2R)-]-(1-fluoropropan-2-ylamino)-3-(m-tolyloxy)propan-2-ol ((2S and 2R)-[(18)F]1). The radiosyntheses were accomplished in < 1 h, with 20-24% (uncorrected for decay, n = 7) radiochemical yields, > 96% radiochemical and > 99% enantiomeric purities, with specific activities of 0.9-1.1 Ci/mu mol(EOS). Ex vivo biodistribution studies with the radiotracers demonstrated excessively rapid washout that May limit their use for cerebral PET imaging.
• SPIROPIPERIDINE BETA-SECRETASE INHIBITORS FOR THE TREATMENT OF ALZHEIMER'S DISEASE
  申请人：Merck Sharp & Dohme Corp.

  公开号：EP1910364B1

  公开（公告）日：2012-03-21