1-phenyl-4-(pyridin-4-yl)butylamine | 724463-66-5

• 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-phenyl-4-(pyridin-4-yl)butylamine
• 英文别名: 1-phenyl-4-pyridin-4-ylbutan-1-amine
• CAS: 724463-66-5
• 化学式: C₁₅H₁₈N₂
• mdl: MFCD21548800
• 分子量: 226.321
• InChiKey: JGZZZDDCVDAISH-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.4
• 重原子数：
  17
• 可旋转键数：
  5
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.266
• 拓扑面积：
  38.9
• 氢给体数：
  1
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  1-phenyl-4-(pyridin-4-yl)butylamine 、 二碳酸二叔丁酯 在 三乙胺 作用下， 以 四氢呋喃 为溶剂， 以82%的产率得到N-[1-phenyl-4-(pyridin-4-yl)butyl]carbamic acid tert-butyl ester
  参考文献：
  名称：

  d-Phenylglycinol-derived non-covalent factor Xa inhibitors: Effect of non-peptidic S4 linkage elements on affinity and anticoagulant activity

  摘要：

  Analogs to a series Of D-phenylglycinamide-derived factor Xa inhibitors were discovered. It was found that the S4 amide linkage can be replaced with an ether linkage to reduce the peptide character of the molecules and that this substitution leads to an increase in binding affinity that is not predicted based on modeling. Inhibitors which incorporate ether, amino, or alkyl S4 linkage motifs exhibit similar levels of binding affinity and also demonstrate potent in vitro functional activity, however, binding affinity in this series is strongly dependent on the nature of the S1 binding element. (c) 2007 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2007.08.051
• 作为产物：
  描述：

  1-phenyl-4-(pyridin-4-yl)butan-1-one oxime 在 palladium on activated charcoal 氢气 作用下， 以87%的产率得到1-phenyl-4-(pyridin-4-yl)butylamine
  参考文献：
  名称：

  d-Phenylglycinol-derived non-covalent factor Xa inhibitors: Effect of non-peptidic S4 linkage elements on affinity and anticoagulant activity

  摘要：

  Analogs to a series Of D-phenylglycinamide-derived factor Xa inhibitors were discovered. It was found that the S4 amide linkage can be replaced with an ether linkage to reduce the peptide character of the molecules and that this substitution leads to an increase in binding affinity that is not predicted based on modeling. Inhibitors which incorporate ether, amino, or alkyl S4 linkage motifs exhibit similar levels of binding affinity and also demonstrate potent in vitro functional activity, however, binding affinity in this series is strongly dependent on the nature of the S1 binding element. (c) 2007 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2007.08.051

文献信息

• Factor xa Inhibitors
  申请人：Sheehan Martin Scott

  公开号：US20060052606A1

  公开（公告）日：2006-03-09

  Compounds of formula (I) in which R 1 , n, Z, R 3 and R 4 have any of the meanings given in the specification, are inhibitors of the serine protease Factor Xa and are useful in the treatment of thrombotic disorders.

  式(I)中，R1、n、Z、R3和R4具有规范中给出的任何含义的化合物是丝氨酸蛋白酶Xa的抑制剂，可用于治疗血栓性疾病。
• Factor Xa inhibitors
  申请人：Eli Lilly and Company

  公开号：US07427632B2

  公开（公告）日：2008-09-23

  Compounds of formula (I) in which R1, n, Z, R3 and R4 have any of the meanings given in the specification, are inhibitors of the serine protease Factor Xa and are useful in the treatment of thrombotic disorders.

  式(I)中R1、n、Z、R3和R4具有规范中给定的任何含义的化合物，是丝氨酸蛋白酶Xa的抑制剂，并可用于治疗血栓性疾病。
• US7427632B2
  申请人：——

  公开号：US7427632B2

  公开（公告）日：2008-09-23