Four new 3,4‐dihydro‐1‐benzoxepin‐5(2H)‐one derivatives, namely (E)‐4‐(5‐bromo‐2‐hydroxybenzylidene)‐6,8‐dimethoxy‐3,4‐dihydrobenzo[b]oxepin‐5(2H)‐one, (7), (E)‐4‐[(E)‐3‐(5‐bromo‐2‐hydroxyphenyl)allylidene]‐6,8‐dimethoxy‐3,4‐dihydrobenzo[b]oxepin‐5(2H)‐one, (8), (E)‐4‐(5‐bromo‐2‐hydroxybenzylidene)‐6‐hydroxy‐8‐methoxy‐3,4‐dihydrobenzo[b]oxepin‐5(2H)‐one, C₁₈H₁₅BrO₅, (9), and (E)‐4‐[(E)‐3‐(5‐bromo‐2‐hydroxyphenyl)allylidene]‐6‐hydroxy‐8‐methoxy‐3,4‐dihydrobenzo[b]oxepin‐5(2H)‐one, (10), have been synthesized and characterized by FT–IR, NMR and MS. The structure of (9) was confirmed by single‐crystal X‐ray diffraction. Crystal structure analysis shows that molecules of (9) are connected into a one‐dimensional chain in the [010] direction through classical hydrogen bonds and these chains are further extended into a three‐dimensional network via C—H…O interactions. The inhibitory activities of these compounds against protein–tyrosine kinases (PTKs) show that 6‐hydroxy‐substituted compounds (9) and (10) are more effective for inhibiting ErbB1 and ErbB2 than are 6‐methoxy‐substituted compounds (7) and (8). This may be because (9) and (10) could effectively bind to the active pockets of the protein through intermolecular interactions.

中文翻译：

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新型3,4-二氢-1-苯并氧杂-5（2H）-one衍生物作为蛋白质-酪氨酸激酶（PTK）抑制剂的合成，晶体结构和活性评估。

四个新的3,4-二氢-1-苯并二甲苯-5（2 H）-一衍生物，即（E）-4-（5-溴-2-羟基苄叉）-6,8-二甲氧基-3,4-二氢苯并[ b ] oxepin‐5（2 H）‐one，（7），（E）‐4 ‐ [（E）‐3‐（5‐溴‐2‐羟基苯基）亚芳基] ‐6,8‐dimethoxy‐3,4 -二氢苯并[ b ] oxepin-5（2 H）-one，（8），（E）-4-（5-溴-2-羟基苄叉）-6-羟基-8-甲氧基-3,4-二氢苯并[ b ] oxepin‐5（2 H）‐one，C ₁₈ H ₁₅ BrO ₅，（9）和（E）-4 - [（ë）-3-（5-溴-2-羟基苯基）亚烯丙基] -6-羟基-8-甲氧基-3,4-二氢苯并[ b ]氧杂-5-（2- ħ） -酮，（10），已通过FT-IR，NMR和MS合成并表征。（9）的结构通过单晶X射线衍射确认。晶体结构分析表明（9）的分子通过经典的氢键沿[010]方向连接成一维链，这些链通过C–H…O相互作用进一步延伸为三维网络。这些化合物对蛋白质酪氨酸激酶（PTKs）的抑制活性表明，6-羟基取代的化合物（9）和（10）比6-甲氧基取代的化合物（7）和（8）更有效地抑制ErbB1和ErbB2 。这可能是因为（9）和（10）可以通过分子间相互作用有效地结合至蛋白质的活性口袋。