N-{2-[6,7-dimethoxy-3,4-dihydro-2(1H)-isoquinolinyl]ethyl}-2-{[4-(dimethylamino)benzoyl]amino}benzamide -Drug Synthesis Database

【结构式】

【分子编号】57725

【品名】N-{2-[6,7-dimethoxy-3,4-dihydro-2(1H)-isoquinolinyl]ethyl}-2-{[4-(dimethylamino)benzoyl]amino}benzamide

【CA登记号】

【分子式】C₂₉H₃₄N₄O₄

【分子量】502.61352

【元素组成】C 69.3% H 6.82% N 11.15% O 12.73%

与该中间体有关的原料药合成路线共 1 条

合成路线1

该中间体在本合成路线中的序号：(V)

The title compound can be synthesized by two routes. Condensation of anthranilic acid (I) with acid chloride (II) provides benzooxazinone (III). Refluxing of (III) with amine (IV) in the presence of p-toluenesulfonic acid yields a mixture of the target quinazolinone and the uncyclized diamide (V), which can be cyclized to the title compound by heating in H2SO4/HOAc.

参考文献中间体

合成目标

【1】 Wang, S.; et al.; Studies on quinazolinones as dual inhibitors of Pgp and MRP1 in multidrug resistance. Bioorg Med Chem Lett 2002, 12, 4, 571.

中间体序号	中间体编号	品名	CAS号	分子式	供应商	用于合成
(I)	11661	2-Aminobenzoic acid;Anthranilic acid; o-Aminobenzoic acid	118-92-3	C₇H₇NO₂	详情	详情
(II)	39988	4-(dimethylamino)benzoyl chloride	4755-50-4	C₉H₁₀ClNO	详情	详情
(III)	57723	2-[4-(dimethylamino)phenyl]-4H-3,1-benzoxazin-4-one		C₁₆H₁₄N₂O₂	详情	详情
(IV)	57724	2-[6,7-dimethoxy-3,4-dihydro-2(1H)-isoquinolinyl]-1-ethanamine; 2-[6,7-dimethoxy-3,4-dihydro-2(1H)-isoquinolinyl]ethylamine		C₁₃H₂₀N₂O₂	详情	详情
(V)	57725	N-{2-[6,7-dimethoxy-3,4-dihydro-2(1H)-isoquinolinyl]ethyl}-2-{[4-(dimethylamino)benzoyl]amino}benzamide		C₂₉H₃₄N₄O₄	详情	详情

Extended Information