4-氯-2-乙基喹唑啉 | 38154-40-4

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 二氮杂萘
• 中文名称: 4-氯-2-乙基喹唑啉
• 英文名称: 4-chloro-2-ethylquinazoline
• 英文别名: 4-chloro-2-ethyl-quinazoline
• CAS: 38154-40-4
• 化学式: C₁₀H₉ClN₂
• mdl: MFCD08460381
• 分子量: 192.648
• InChiKey: RDUNVFMFQKNWBM-UHFFFAOYSA-N

物化性质

• 熔点：
  178℃
• 沸点：
  231℃
• 密度：
  1.244
• 闪点：
  116℃

计算性质

• 辛醇/水分配系数(LogP)：
  3.6
• 重原子数：
  13
• 可旋转键数：
  1
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.2
• 拓扑面积：
  25.8
• 氢给体数：
  0
• 氢受体数：
  2

安全信息

• 海关编码：
  2933990090

反应信息

• 作为反应物：
  描述：

  4-氯-2-乙基喹唑啉 在 sodium hydride 作用下， 反应 3.5h， 生成 2-Ethyl-3-[4-(2,2,4-trimethyl-chroman-4-yl)-phenyl]-3H-quinazolin-4-one
  参考文献：
  名称：

  Samant, S. P.; Dhande, S. K.; Hosagnadi, B. D., Indian Journal of Chemistry - Section B Organic and Medicinal Chemistry, 1988, vol. 27, # 1-12, p. 1134 - 1135

  摘要：

  DOI：
• 作为产物：
  描述：

  2-(丙酰基氨基)苯甲酸 在 ammonium hydroxide 、 sodium hydroxide 、 二异丙胺 、 三氯氧磷 作用下， 以 甲苯 为溶剂， 生成 4-氯-2-乙基喹唑啉
  参考文献：
  名称：

  Phosphodiesterase inhibitory properties of losartan. design and synthesis of new lead compounds

  摘要：

  A 4-centre PDE 4 pharmacophore search has been carried out in several 3D-databases containing compounds belonging to different therapeutic areas. Losartan, an angiotensin-II antagonist, has been identified as a new lead compound for developping PDE 4 inhibitors. New families of compounds derived from losartan has been synthesized and their PDE inhibition has been measured. (C) 1998 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0960-894x(98)00058-4

文献信息

• PYRIMIDINE DERIVATIVE, PREPARATION METHOD AND USE THEREOF
  申请人：Chen Fener

  公开号：US20120122902A1

  公开（公告）日：2012-05-17

  A pyrimidine derivative and the preparation method and usethereof. The said pyrimidine derivative is a diaryl pyrimidine derivative or a diaryl benzo pyrimidine derivative which has the structure shown as the Formula I and IV. Present pyrimidine derivative can be used for the prevention or the treatment of HIV.

  一种嘧啶衍生物及其制备方法和用途。所述的嘧啶衍生物是二芳基嘧啶衍生物或二芳基苯并嘧啶衍生物，其结构如公式I和IV所示。目前的嘧啶衍生物可用于预防或治疗HIV。
• Benzoxazepines as Inhibitors of PI3K/mTOR and Methods of Their Use and Manufacture
  申请人：Rice Kenneth D.

  公开号：US20140080810A1

  公开（公告）日：2014-03-20

  The invention is directed to Compounds of Formula I: (I) and pharmaceutically acceptable salts or solvates thereof, as well as methods of treating using the compounds, methods for screening for inhibitor compounds and methods for identifying treatment regimens.

  本发明涉及化合物I式：（I）及其药学上可接受的盐或溶剂化物，以及使用该化合物进行治疗的方法，筛选抑制剂化合物的方法和确定治疗方案的方法。
• Discovery of <i>N</i>-(4-Methoxyphenyl)-<i>N</i>,2-dimethylquinazolin-4-amine, a Potent Apoptosis Inducer and Efficacious Anticancer Agent with High Blood Brain Barrier Penetration
  作者：Nilantha Sirisoma、Azra Pervin、Hong Zhang、Songchun Jiang、J. Adam Willardsen、Mark B. Anderson、Gary Mather、Christopher M. Pleiman、Shailaja Kasibhatla、Ben Tseng、John Drewe、Sui Xiong Cai

  DOI：10.1021/jm801315b

  日期：2009.4.23

  As a continuation of our structure-activity relationship (SAR) studies on 4-anilinoquinazolines as potent apoptosis inducers and to identify anticancer development candidates, we explored the replacement of the 2-Cl group in our lead compound 2-chloro-N-(4-methoxyphenyl)-N-methylquinazolin-4-amine (6b, EP 128265, MPI-0441138) by other functional groups. This SAR study and lead optimization resulted in the identification of N-(4-methoxyphenyl)-N,2-dimethylquinazolin-4-amine (6h EP128495, MPC-6827) as an anticancer clinical candidate. Compound 6h was found to be a potent apoptosis inducer with EC50 of 2 nM in our cell-based apoptosis induction assay. It also has excellent blood brain barrier penetration, and is highly efficacious in human MX-1 breast and other mouse xenograft cancer models.
• Bahekar; Rao, Arzneimittel-Forschung/Drug Research, 2001, vol. 51, # 4, p. 284 - 292
  作者：Bahekar、Rao

  DOI：——

  日期：——
• SELIM M.; SAMMOUR A.; ABDALLA M.; ELKASABY M., PAKISTAN J. SCI. RES. <PSIR-AA>, 1975, 27, NO 1-4, 67-72
  作者：SELIM M.、 SAMMOUR A.、 ABDALLA M.、 ELKASABY M.

  DOI：——

  日期：——