6-[2-(Phenyl)ethyl]-2-naphthalenecarbonitrile | 220299-36-5

• 分子结构分类: 有机化合物 - 苯丙烷和聚酮 - 二苯乙烯类
• 英文名称: 6-[2-(Phenyl)ethyl]-2-naphthalenecarbonitrile
• 英文别名: 6-(2-Phenylethyl)naphthalene-2-carbonitrile
• CAS: 220299-36-5
• 化学式: C₁₉H₁₅N
• 分子量: 257.335
• InChiKey: WMODILQXKYZMSG-UHFFFAOYSA-N

物化性质

• 沸点：
  421.6±14.0 °C(Predicted)
• 密度：
  1.13±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  5.1
• 重原子数：
  20
• 可旋转键数：
  3
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.11
• 拓扑面积：
  23.8
• 氢给体数：
  0
• 氢受体数：
  1

反应信息

• 作为反应物：
  描述：

  6-[2-(Phenyl)ethyl]-2-naphthalenecarbonitrile 在 lithium hexamethyldisilazane 、 盐酸 作用下， 以 四氢呋喃 为溶剂， 生成 6-Phenethyl-2-naphthimidamide
  参考文献：
  名称：

  Naphthamidine urokinase plasminogen activator inhibitors with improved pharmacokinetic properties

  摘要：

  A series of non-amide-linked 6-substituted-2-naphthamidine urokinase plasminogen activator (uPA) inhibitors are described. These compounds possess excellent binding activities and selectivities with significantly improved pharmacokinetic profiles versus previously described amide-linked inhibitors. (C) 2004 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2004.10.026
• 作为产物：
  描述：

  6-cyano-naphthalene-2-carboxylic acid methyl ester 在 palladium on activated charcoal sodium tetrahydroborate 、 N-溴代丁二酰亚胺(NBS) 、 氢气 、 三苯基膦 、 calcium chloride 、 lithium hexamethyldisilazane 作用下， 以 四氢呋喃 、 甲醇 、 乙醇 、 二氯甲烷 为溶剂， 生成 6-[2-(Phenyl)ethyl]-2-naphthalenecarbonitrile
  参考文献：
  名称：

  Naphthamidine urokinase plasminogen activator inhibitors with improved pharmacokinetic properties

  摘要：

  A series of non-amide-linked 6-substituted-2-naphthamidine urokinase plasminogen activator (uPA) inhibitors are described. These compounds possess excellent binding activities and selectivities with significantly improved pharmacokinetic profiles versus previously described amide-linked inhibitors. (C) 2004 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2004.10.026

文献信息

• Urokinase inhibitors
  申请人：——

  公开号：US20010049374A1

  公开（公告）日：2001-12-06

  Compounds having the formula 1 are inhibitors of urokinase and are useful in the treatment of diseases in which urokinase plays a role. Also disclosed are urokinase-inhibiting compositions and a method of inhibiting urokinase in a mammal.

  化合物的化学式为1，它们是尿激酶抑制剂，在尿激酶发挥作用的疾病治疗中有用。还披露了抑制尿激酶的组合物和一种在哺乳动物中抑制尿激酶的方法。
• US6258822B1
  申请人：——

  公开号：US6258822B1

  公开（公告）日：2001-07-10
• US6284796B1
  申请人：——

  公开号：US6284796B1

  公开（公告）日：2001-09-04
• Naphthamidine urokinase plasminogen activator inhibitors with improved pharmacokinetic properties
  作者：Milan Bruncko、William J. McClellan、Michael D. Wendt、Daryl R. Sauer、Andrew Geyer、Christopher R. Dalton、Michele A. Kaminski、Moshe Weitzberg、Jane Gong、Joseph F. Dellaria、Robert Mantei、Xumiao Zhao、Vicki L. Nienaber、Kent Stewart、Vered Klinghofer、Jennifer Bouska、Todd W. Rockway、Vincent L. Giranda

  DOI：10.1016/j.bmcl.2004.10.026

  日期：2005.1

  A series of non-amide-linked 6-substituted-2-naphthamidine urokinase plasminogen activator (uPA) inhibitors are described. These compounds possess excellent binding activities and selectivities with significantly improved pharmacokinetic profiles versus previously described amide-linked inhibitors. (C) 2004 Elsevier Ltd. All rights reserved.