7-Methoxy-8-(1H-pyrazol-4-yl)-2-naphthalenecarbonitrile | 220299-52-5

• 分子结构分类: 有机化合物 - 苯类化合物 - 萘
• 英文名称: 7-Methoxy-8-(1H-pyrazol-4-yl)-2-naphthalenecarbonitrile
• 英文别名: 7-methoxy-8-(1H-pyrazol-4-yl)naphthalene-2-carbonitrile
• CAS: 220299-52-5
• 化学式: C₁₅H₁₁N₃O
• 分子量: 249.272
• InChiKey: KIPSOXJPRUFBKM-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.8
• 重原子数：
  19
• 可旋转键数：
  2
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.07
• 拓扑面积：
  61.7
• 氢给体数：
  1
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  7-Methoxy-8-(1H-pyrazol-4-yl)-2-naphthalenecarbonitrile 在 盐酸 、 双(三甲基硅烷基)氨基钾 作用下， 以 四氢呋喃 、 N,N-二甲基甲酰胺 为溶剂， 生成 7-Methoxy-8-(1-methyl-1H-pyrazol-4-yl)-naphthalene-2-carboxamidine
  参考文献：
  名称：

  Interaction with the S1β-pocket of urokinase: 8-heterocycle substituted and 6,8-disubstituted 2-naphthamidine urokinase inhibitors

  摘要：

  Several 8-substituted 2-naphthamidine-based inhibitors of the serine protease urokinase plasminogen activator (uPA) are described. Direct attachment of five-membered saturated or unsaturated rings improved inhibitor performance; substitution with sulfones further improved binding profiles. Combination of these substituents or of previously described NH-linked heteroaromatic rings with 6-phenyl amide substituents provided further enhancements to potency and selectivity. (C) 2004 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2004.04.030
• 作为产物：
  描述：

  7-羟基-2-萘甲腈 在 (1,1'-bis(diphenylphosphino)ferrocene)palladium(II) dichloride 、 四丁基氟化铵 、 碘 、 sodium hydride 、 sodium carbonate 、 caesium carbonate 作用下， 以 四氢呋喃 、 N,N-二甲基甲酰胺 为溶剂， 生成 7-Methoxy-8-(1H-pyrazol-4-yl)-2-naphthalenecarbonitrile
  参考文献：
  名称：

  Interaction with the S1β-pocket of urokinase: 8-heterocycle substituted and 6,8-disubstituted 2-naphthamidine urokinase inhibitors

  摘要：

  Several 8-substituted 2-naphthamidine-based inhibitors of the serine protease urokinase plasminogen activator (uPA) are described. Direct attachment of five-membered saturated or unsaturated rings improved inhibitor performance; substitution with sulfones further improved binding profiles. Combination of these substituents or of previously described NH-linked heteroaromatic rings with 6-phenyl amide substituents provided further enhancements to potency and selectivity. (C) 2004 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2004.04.030

文献信息

• Urokinase inhibitors
  申请人：Abbott Laboratories

  公开号：US06258822B1

  公开（公告）日：2001-07-10

  Compounds having the formula 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.

  具有该公式的化合物是尿激酶的抑制剂，对于尿激酶在其中发挥作用的疾病的治疗是有用的。还公开了抑制尿激酶的组合物和在哺乳动物中抑制尿激酶的方法。
• Ukokinase inhibitors
  申请人：Abbott Laboratories

  公开号：US06284796B1

  公开（公告）日：2001-09-04

  Compounds having the formula 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.

  具有该化学式的化合物是尿激酶的抑制剂，对于尿激酶在某些疾病治疗中起作用是有用的。还公开了抑制尿激酶的组合物和在哺乳动物中抑制尿激酶的方法。
• UROKINASE INHIBITORS
  申请人：Abbott Laboratories

  公开号：EP1000018A2

  公开（公告）日：2000-05-17
• 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