(4-benzyloxy-3-chlorophenyl)-(6-(2-((2-methanesulphonyl-ethylamino)propyl)-furan-2-yl)-guinazolin-4-yl)-amine

• 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-benzyloxy-3-chlorophenyl)-(6-(2-((2-methanesulphonyl-ethylamino)propyl)-furan-2-yl)-guinazolin-4-yl)-amine
• 英文别名: N-(4-(Benzyloxy)-3-chlorophenyl)-6-(5-(((2-(methylsulfonyl)ethyl)amino)methyl)furan-2-yl)quinazolin-4-amine；N-(3-chloro-4-phenylmethoxyphenyl)-6-[5-[(2-methylsulfonylethylamino)methyl]furan-2-yl]quinazolin-4-amine
• 化学式: C₂₉H₂₇ClN₄O₄S
• 分子量: 563.077
• InChiKey: HTIFVTQSFKUCDX-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5
• 重原子数：
  39
• 可旋转键数：
  11
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.17
• 拓扑面积：
  115
• 氢给体数：
  2
• 氢受体数：
  8

反应信息

• 作为产物：
  描述：

  2-氯-4-硝基苯酚 在 platinum on activated charcoal palladium diacetate 、 氢气 、 三乙酰氧基硼氢化钠 、 potassium carbonate 、 溶剂黄146 、 三乙胺 、 三苯基膦 作用下， 以 四氢呋喃 、 乙醇 、 二氯甲烷 、 N,N-二甲基甲酰胺 、 异丙醇 、 乙腈 为溶剂， 生成 (4-benzyloxy-3-chlorophenyl)-(6-(2-((2-methanesulphonyl-ethylamino)propyl)-furan-2-yl)-guinazolin-4-yl)-amine
  参考文献：
  名称：

  Optimization and SAR for dual ErbB-1/ErbB-2 tyrosine kinase inhibition in the 6-furanylquinazoline series

  摘要：

  Synthetic modifications on a 6-furanylquinazoline scaffold to optimize the dual ErbB-1/ErbB-2 tyrosine kinase inhibition afforded consistent SAR whereby a 4-(3-fluorobenzyloxy)-3-haloanilino provided the best enzyme potency and cellular selectivity. Changes made to the 6-furanyl group had little impact on the enzyme activity, but appeared to dramatically affect the cellular efficacy. The discovery of lapatinib emerged from this work. (c) 2006 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2006.05.090

文献信息

• HETEROCYCLIC COMPOUNDS
  申请人：CARTER Clive Malcolm

  公开号：US20070238875A1

  公开（公告）日：2007-10-11

  A process for the preparation of a compound of formula (I) comprising the steps: (a) reacting a compound of formula (II) wherein L and L′ are suitable leaving groups, with a compound of formula (III) UNH 2 (III) to prepare a compound of formula (IV) and subsequently (b) substituting the group R 1 by replacement of the leaving group L′.

  一种制备化合物(I)的方法，包括以下步骤：（a）将式为(II)的化合物与式为(III)的化合物UNH2(III)反应，其中L和L'是适当的离去基团，以制备式为(IV)的化合物；随后(b)通过替换离去基团L'来取代基团R1。
• BICYCLIC HETEROAROMATIC COMPOUNDS AS PROTEIN TYROSINE KINASE INHIBITORS
  申请人：GlaxoSmithKline LLC

  公开号：US20150065527A1

  公开（公告）日：2015-03-05

  A pharmaceutical formulation comprising the compound of formula

  一种药物配方，其中包含化学式的化合物。
• Bicyclic heteroaromatic compounds as protein tyrosine kinase inhibitors
  申请人：Carter Malcom Clive

  公开号：US20100120804A1

  公开（公告）日：2010-05-13

  A process for the preparation of a compound of formula (I) comprising the steps: (a) reacting a compound of formula (II) wherein L and L′ are suitable leaving groups, with a compound of formula (III) UNH 2 (III) to prepare a compound of formula (IV) and subsequently (b) substituting the group R 1 by replacement of the leaving group L′.

  一种制备化合物(I)的方法，包括以下步骤：(a) 将式为(II)的化合物与式为(III)的化合物UNH2(III)反应，其中L和L'是合适的离去基团，制备出式为(IV)的化合物；随后(b)通过取代离去基团L'来替换基团R1。
• Bicyclic Heteroaromatic Compounds As Protein Tyrosine Kinase Inhibitors
  申请人：GlaxoSmithKline LLC

  公开号：US20130310562A1

  公开（公告）日：2013-11-21

  A pharmaceutical formulation comprising the compound of formula

  一种药物配方，包含公式的化合物。
• COMBINATION OF CERTINIB WITH AN EGFR INHIBITOR
  申请人：Novartis AG

  公开号：US20200085814A1

  公开（公告）日：2020-03-19

  The present disclosure relates to a pharmaceutical composition comprising two Tyrosine Kinase Inhibitors (TKIs), namely Ceritinib and an EGFR Inhibitor. The present combination can be administered independently or separately, in a quantity which is jointly therapeutically effective for the treatment of a TKI mediated disease, such as cancer. The disclosure also provides the use of such a combination for the manufacture of a medicament; the use of such a combination as a medicine; a kit of part comprising such a combination; and a method of treatment of such a combination.