N-(5-氨基-2-甲基苯基)-5-(3-吡啶基)-2-嘧啶胺 | 1026194-04-6

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 中文名称: N-(5-氨基-2-甲基苯基)-5-(3-吡啶基)-2-嘧啶胺
• 英文名称: N-(5-amino-2-methylphenyl)-5-(3-pyridyl)-2-pyrimidinamine
• 英文别名: 4-methyl-3-N-(5-pyridin-3-ylpyrimidin-2-yl)benzene-1,3-diamine
• CAS: 1026194-04-6
• 化学式: C₁₆H₁₅N₅
• 分子量: 277.329
• InChiKey: HGQXNUDNVZDWDA-UHFFFAOYSA-N

物化性质

• 沸点：
  538.6±60.0 °C(Predicted)
• 密度：
  1.266±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2.3
• 重原子数：
  21
• 可旋转键数：
  3
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.06
• 拓扑面积：
  76.7
• 氢给体数：
  2
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  4-氯-7-[3-氯丙氧基]喹唑啉 、 N-(5-氨基-2-甲基苯基)-5-(3-吡啶基)-2-嘧啶胺 以 异丙醇 为溶剂， 生成 N1-(7-(3-chloropropoxy)quinazolin-4-yl)-4-methyl-N3-(5-(pyridin-3-yl)pyrimidin-2-yl)benzene-1,3-diamine
  参考文献：
  名称：

  Synthesis and Quantum Chemical Studies of New 4-aminoquinazoline Derivatives as Aurora A/B Kinase Inhibitors

  摘要：

  Nine novel 4‐aminoquinazoline derivatives were designed and synthesized. Biochemical and cellular analyses demonstrated that most of the derivatives exhibited a strong activity to inhibit Aurora A and B kinases and to suppress the proliferation of a panel of human tumor cell lines (U937, K562, A549, LoVo, and HT29). Quantum chemical studies were also carried out to determine the structural features of these compounds engaged in the inhibition of Aurora kinases.

  DOI：

  10.1111/cbdd.12089

文献信息

• CRYSTAL FORM OF PHENYLAMINO PYRIMIDINE DERIVATIVES
  申请人：Kompella Amala kishan

  公开号：US20090227611A1

  公开（公告）日：2009-09-10

  The present invention relates to a particular form of the (3,5-bis trifluoromethyl)-N-[4-methyl-3-(4-pyridin-3yl-pyrimidin-2ylamino)-phenyl]-benzamide (formula I), processes for the preparation thereof, pharmaceutical compositions containing this crystal form, and their use as anti tumor agent in humans. The compound of formula I, also known as AN-019, is:

  本发明涉及一种特定形式的（3,5-双三氟甲基）-N-[4-甲基-3-(4-吡啶-3基-嘧啶-2基氨基)-苯基]-苯甲酰胺（化学式 I），其制备方法，含有该晶体形式的药物组合物，以及其作为人类抗肿瘤药物的用途。化学式 I 的化合物，也被称为 AN-019。
• DRUG FRAGMENT IMAGING AGENT CONJUGATES
  申请人：The Board of Trustees of the Leland Stanford Junior University

  公开号：US20200390909A1

  公开（公告）日：2020-12-17

  Functional dyes and methods of use are provided. The dyes are useful in a variety of medical applications including, but not limited to, diagnostic imaging and therapy, endoscopic applications for the detection of tumors and other abnormalities, particularly with oral administration of the dyes.

  本发明提供功能染料及其使用方法。这些染料可用于各种医学应用，包括但不限于诊断成像和治疗，内窥镜应用以检测肿瘤和其他异常情况，特别是通过口服染料。
• Synthesis and Quantum Chemical Studies of New 4-aminoquinazoline Derivatives as Aurora A/B Kinase Inhibitors
  作者：Ming Zheng、Youguang Zheng、Yunsheng Xue、Yi Liu、Lin An、Ling Zhang、Min Ji、Bai Xue、Xuan Wu、Xuedong Gong、Ning Gu、Xi Zhan

  DOI：10.1111/cbdd.12089

  日期：2013.3

  Nine novel 4‐aminoquinazoline derivatives were designed and synthesized. Biochemical and cellular analyses demonstrated that most of the derivatives exhibited a strong activity to inhibit Aurora A and B kinases and to suppress the proliferation of a panel of human tumor cell lines (U937, K562, A549, LoVo, and HT29). Quantum chemical studies were also carried out to determine the structural features of these compounds engaged in the inhibition of Aurora kinases.