2-amino-4-(3-N-methylpiperazinylpropoxy)-5-methoxy-benzonitrile | 385784-96-3

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯酚醚
• 英文名称: 2-amino-4-(3-N-methylpiperazinylpropoxy)-5-methoxy-benzonitrile
• 英文别名: 2-Amino-5-methoxy-4-[3-(4-methylpiperazin-1-yl)propoxy]benzonitrile
• CAS: 385784-96-3
• 化学式: C₁₆H₂₄N₄O₂
• 分子量: 304.392
• InChiKey: VOOMFPJLOJQARE-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.7
• 重原子数：
  22
• 可旋转键数：
  6
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.56
• 拓扑面积：
  74.8
• 氢给体数：
  1
• 氢受体数：
  6

反应信息

• 作为产物：
  描述：

  Na2 CO3 (solid) 、 2-nitro-4-(3-N-methylpiperazinylpropoxy)-5-methoxybenzonitrile 、 苄基三甲基氯化铵 生成 2-amino-4-(3-N-methylpiperazinylpropoxy)-5-methoxy-benzonitrile
  参考文献：
  名称：

  摘要：

  DOI：

文献信息

• Substituted quinazoline derivatives and their use as inhibitors
  申请人：AstraZeneca AB

  公开号：US20030187002A1

  公开（公告）日：2003-10-02

  The use of a compound of formula (I) 1 or a salt, ester or amide thereof; where X is O, or S, S(O) or S(O) 2 , or NR 6 where R 6 is hydrogen or C 1-6 alkyl,; R 5 is an optionally substituted 5-membered heteroaromatic ring, R 1 , R 2 , R 3 , R 4 are independently selected from various specified moieties, in the preparation of a medicament for use in the inhibition of aurora 2 kinase. Certain compounds are novel and these, together with pharmaceutical compositions containing them are also described and claimed.

  使用式(I)的化合物或其盐、酯或酰胺； 其中X为O、S、S(O)或S(O)2，或NR6，其中R6为氢或C1-6烷基； R5为可选择取代的5-成员杂芳环， R1、R2、R3、R4分别选自各种指定的基团，在制备用于抑制aurora 2激酶的药物中使用。 某些化合物是新颖的，这些化合物以及含有它们的药物组合物也有描述和声明。
• SUBSTITUTED QUINAZOLINE DERIVATIVES AND THEIR USE AS INHIBITORS
  申请人：AstraZeneca AB

  公开号：EP1299381A1

  公开（公告）日：2003-04-09
• US6919338B2
  申请人：——

  公开号：US6919338B2

  公开（公告）日：2005-07-19
• [EN] SUBSTITUTED QUINAZOLINE DERIVATIVES AND THEIR USE AS INHIBITORS<br/>[FR] DERIVES DE LA QUINAZOLINE SUBSTITUES ET LEUR UTILISATION COMME INHIBITEURS
  申请人：ASTRAZENECA AB

  公开号：WO2002000649A1

  公开（公告）日：2002-01-03

  The use of a compound of formula (I) or a salt, ester or amide thereof; where X is O, or S, S(O) or S(O)2, or NR6 where R6 is hydrogen or C¿1-6?alkyl; R?5¿ is an optionally substituted 5-membered heteroaromatic ring, R?1, R2, R3, R4¿ are independently selected from various specified moieties, in the preparation of a medicament for use in the inhibition of aurora 2 kinase. Certain compounds are novel and these, together with pharmaceutical compositions containing them are also described and claimed.