4-chloro-7-ethoxyquinazolin-6-yl acetate | 451494-95-4

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 二氮杂萘
• 英文名称: 4-chloro-7-ethoxyquinazolin-6-yl acetate
• 英文别名: Acetic acid 4-chloro-7-ethoxy-6-quinazolinyl ester；(4-chloro-7-ethoxyquinazolin-6-yl) acetate
• CAS: 451494-95-4
• 化学式: C₁₂H₁₁ClN₂O₃
• 分子量: 266.684
• InChiKey: BPFKLUXBDOFMAS-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.6
• 重原子数：
  18
• 可旋转键数：
  4
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.25
• 拓扑面积：
  61.3
• 氢给体数：
  0
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  4-chloro-7-ethoxyquinazolin-6-yl acetate 在 氨 作用下， 以 甲醇 为溶剂， 反应 3.0h， 以31.5%的产率得到4-chloro-7-ethoxyquinazolin-6-ol
  参考文献：
  名称：

  [EN] BIS-ARYL ETHERS CONTAINING N-ACYL AZETIDINE AS EGFR/HER2 INHIBITORS
  [FR] BIS-ARYL ÉTHERS CONTENANT DE LA N-ACYL AZÉTIDINE EN TANT QU'INHIBITEURS DE L'EGFR/HER2

  摘要：

  该发明提供了化合物及其药物组合物，用于抑制EGFR和erbB2的活性，以及使用这些化合物来治疗与突变EGFR和erbB2活性相关的癌症的方法。

  公开号：

  WO2021231400A1
• 作为产物：
  描述：

  ethyl 3-(benzyloxy)-4-ethoxybenzoate 在 吡啶 、 氯化亚砜 、 palladium on activated charcoal 、 氢气 、 硝酸 、 溶剂黄146 作用下， 以 乙二醇二甲醚 、 乙醇 、 N,N-二甲基甲酰胺 为溶剂， 反应 8.0h， 生成 4-chloro-7-ethoxyquinazolin-6-yl acetate
  参考文献：
  名称：

  [EN] BIS-ARYL ETHERS CONTAINING N-ACYL AZETIDINE AS EGFR/HER2 INHIBITORS
  [FR] BIS-ARYL ÉTHERS CONTENANT DE LA N-ACYL AZÉTIDINE EN TANT QU'INHIBITEURS DE L'EGFR/HER2

  摘要：

  该发明提供了化合物及其药物组合物，用于抑制EGFR和erbB2的活性，以及使用这些化合物来治疗与突变EGFR和erbB2活性相关的癌症的方法。

  公开号：

  WO2021231400A1

文献信息

• Quinazoline derivatives
  申请人：——

  公开号：US20040116422A1

  公开（公告）日：2004-06-17

  A compound of the formula (I) 1 or a pharmaceutically acceptable salt thereof, a hydrate thereof, a solvate thereof, an optically active compound thereof, a racemate thereof or a diastereomer mixture thereof has a superior tyrosine-specific protein kinase inhibitory activity and is useful as a pharmaceutical agent, particularly as an agent for the prophylaxis or treatment of various cancers, psoriasis or diseases caused by arteriosclerosis, and the like.

  式（I）的化合物或其药学上可接受的盐、水合物、溶剂合物、光学活性化合物、消旋体或其二对映异构体混合物具有优越的酪氨酸特异性蛋白激酶抑制活性，并且可用作药物剂，特别是作为各种癌症、银屑病或由动脉硬化引起的疾病的预防或治疗剂。
• Platination of cysteine by an epidermal growth factor receptor kinase-targeted hybrid agent
  作者：Mu Yang、Hanzhi Wu、Julie Chu、Lucas A. Gabriel、Y. Kim、Karen S. Anderson、Cristina M. Furdui、Ulrich Bierbach

  DOI：10.1039/c8cc04251a

  日期：——

  Hybrid molecules have been developed which are comprised of a tyrosine kinase-targeted, quinazoline-based scaffold and a flexibly linked dia(m)minechloridoPt(ii) moiety. The target compounds maintain high affinity and selectivity for ErbB family kinase proteins and one of the derivatives induces platinum adducts with a pharmacologically important cysteine residue.

  已经开发了杂化分子，其由酪氨酸激酶靶向的，基于喹唑啉的支​​架和柔性连接的dia（m）minechloridoPt（ii）部分组成。目标化合物对ErbB家族激酶蛋白保持高亲和力和选择性，并且其中一种衍生物诱导具有药理学上重要的半胱氨酸残基的铂加合物。
• QUINAZOLINE DERIVATIVES
  申请人：Mitsubishi Pharma Corporation

  公开号：EP1369418A1

  公开（公告）日：2003-12-10

  A compound of the formula (I) or a pharmaceutically acceptable salt thereof, a hydrate thereof, a solvate thereof, an optically active compound thereof, a racemate thereof or a diastereomer mixture thereof has a superior tyrosine-specific protein kinase inhibitory activity and is useful as a pharmaceutical agent, particularly as an agent for theprophylaxis or treatment of various cancers, psoriasis or diseases caused by arteriosclerosis, and the like.

  式(I)化合物 或其药学上可接受的盐、其水合物、其溶液、其光学活性化合物、其外消旋物或其非对映异构体混合物具有优异的酪氨酸特异性蛋白激酶抑制活性，可用作药物制剂，特别是用于预防或治疗各种癌症、牛皮癣或动脉硬化引起的疾病等。
• Functionalized Tyrosine Kinase Inhibitors Modified with Precious Metal Electrophiles and Methods Associated Therewith
  申请人：WAKE FOREST UNIVERSITY

  公开号：US20170081293A1

  公开（公告）日：2017-03-23

  Newly synthesized thiourea-modified 3-chloro-4-fluoroanilino-quinazoline derivatives have been studied as terminal carrier ligands in linear gold(I) complexes. The molecules mimic the tyrosine kinase inhibitor gefitinib (by computational docking experiments). Thiourea groups were either directly attached to quinazoline-C6 or linked to this position via a flexible ethylamino chain. One compound tested acts as a thiourea-S/quinazoline-N1 mixed-donor ligand, giving an unusual dinuclear complex as determined by X-ray crystallography and/or electrospray mass spectrometry. One compound formed the desired stable linear complex. The biological activity of the carrier ligands and corresponding gold(I) complexes was studied in NCI-H460 and NCI-H1975 lung cancer cells. One compound that was tested partially overcomes resistance to gefitinib in NCI-H1975 (with IC 50 values of 1.7 and 30 μM, respectively), and the corresponding gold complex (13) maintains activity in the low-micromolar concentration range.
• US7294629B2
  申请人：——

  公开号：US7294629B2

  公开（公告）日：2007-11-13