CAS: 947620-48-6; Methyl 4-((3-(6,7-Dimethoxy-2-(Methylamino)Quinazolin-4-yl)Phenyl)Carbamoyl)Benzoate

英文名称Methyl 4-((3-(6,7-Dimethoxy-2-(Methylamino)Quinazolin-4-yl)Phenyl)Carbamoyl)Benzoate
中文名称4-((3-(6,7-二甲氧基-2-(甲基氨基)喹唑啉-4-基)苯基)氨基甲酰基)苯甲酸甲酯
IUPAC名称methyl 4-((3-(6,7-dimethoxy-2-(methylamino)quinazolin-4-yl)phenyl)carbamoyl)benzoate
CAS编号947620-48-6
MFCD编号:MFCD28502071
FDA UNII编号:TO043KKB9C
分子式:C26H24N4O5分子量:472.5
产品CID: 2000030
产品分类有机原料 → 苯类化合物 → 苯和取代衍生物

相似结构搜索
InChIKey: BBTFKAOFCSOZMB-UHFFFAOYSA-N
InChI=1S/C26H24N4O5/c1-27-26-29-20-14-22(34-3)21(33-2)13-19(20)23(30-26)17-6-5-7-18(12-17)28-24(31)15-8-10-16(11-9-15)25(32)35-4/h5-14H,1-4H3,(H,28,31)(H,27,29,30)
计算化学: 氢键受体数8.0氢键供体数2.0可旋转键数8.0

物理性质

密度1.314±0.06 g/cm3 (20 ºC 760 Torr),
LogP:4.2
溶解性DMSO:25.0(Max Conc. mg/mL);52.9(Max Conc. Mm)
外观形态淡黄色至黄色固体
储存条件储存在 -20°C
产品应用该化合物用作治疗炎症和呼吸道疾病,如同位素皮炎和慢性阻塞性肺病.

上下游产品

[4-(3-Aminophenyl)-6,7-Dimethoxyquinazolin-2-Yl]Methylamine 234751-30-5
3-(2-Chloro-6,7-Dimethoxy-Quinazolin-4-yl)-Phenylamine 947620-70-4

合成工艺路线路线简述

234751-30-5 + 7377-26-6 = 947620-48-6
反应条件:1.1 Solvents: Tetrahydrofuran; 1 H,0 °C; 11 H,0 °C
标题:Preparation Of Quinazolinylphenyl Terephthalate Derivatives For External Use
参考文献:World Intellectual Property Organization]

1679-64-7 + 234751-30-5 = 947620-48-6
反应条件:1.1 Reagents: Thionyl Chloride Catalysts: Dimethylformamide Solvents: 1,2-Dimethoxyethane; 10 °C; 62 Min,60 - 73 °C; Cooled1.2 Reagents: Diisopropylethylamine; 0 °C1.3 Solvents: 1,2-Dimethoxyethane; 38 Min,25 °C -> 20 °C1.4 Solvents: Tetrahydrofuran; 86 H,0 °C; 13.1 H,0 °C
标题:Crystals,Amorphous Substances Or Salts Of Methyl N-[3-(6,7-Dimethoxy-2-Methylaminoquinazolin-4-Yl)Phenyl]Terephthalamic Acid
参考文献:United States]

234751-30-5 + 7377-26-6 = 947620-48-6
反应条件:1.1 Solvents: Tetrahydrofuran; 86 Min,0 °C
标题:Preparation Of [4-(3-Aminophenyl)-6,7-Dimethoxyquinazolin-2-Yl]Methylamine And Its Derivatives
参考文献:World Intellectual Property Organization]

234751-30-5 + 7377-26-6 = 947620-48-6
反应条件:1.1 Reagents: Pyridine Solvents: Tetrahydrofuran; 24 H,Rt
标题:Preparation 4-(3-Benzoylaminophenyl)-6,7-Dimethoxy-2-Methylaminoquinazoline Derivatives As Anti-Itch Agents
参考文献:Taiwan]

234751-30-5 + 7377-26-6 = 947620-48-6
反应条件:1.1 Reagents: Pyridine Solvents: Tetrahydrofuran; 24 H,Rt
标题:Preparation Of Crystals,Amorphous Form And Salts Of Methyl N-[3-(6,7-Dimethoxy-2-Methylaminoquinazolin-4-Yl)Phenyl]Terephthalamate
参考文献:World Intellectual Property Organization]

234751-30-5 + 7377-26-6 = 947620-48-6
反应条件:1.1 Reagents: Pyridine Solvents: Tetrahydrofuran; 24 H,Rt
标题:Preparation Of 4-(3-Benzoylaminophenyl)-6,7-Dimethoxy-2-Methylaminoquinazoline Derivatives As Anti-Pruritic Agents
参考文献:United States]

= 947620-48-6 [标题:Reaction Conditions
标题:Preparation Of 4-(3-Benzoylaminophenyl)-6,7-Dimethoxy-2-Methylaminoquinazoline Derivatives For Suppressing The Itch In Atopic Diseases
参考文献:World Intellectual Property Organization

📜3-氨基苯硼酸置于四(三苯基膦)钯 Sodium Carbonate,N,N-二异丙基乙胺体系中,用四氢呋喃,甲醇,乙二醇二甲醚,水,异丙醇,甲苯作为反应溶剂,化学反应 84.0H,反应生成化合物lotamilast
参考文献:4-(3-Benzoylaminophenyl)-6,7-Dimethoxy-2-Methylaminoquinazoline Derivatives
标题:4-(3-Benzoylaminophenyl)-6,7-Dimethoxy-2-Methylaminoquinazoline Derivatives
摘要:以下式(I)表示的化合物,其盐或水合物,可以有效缓解由异位性疾病等引起的瘙痒: 其中r代表羟基,C1-6烷氧基,可选地被c1-6烷氧基取代,或者氨基,可选地被c1-6烷基取代.

海关参考信息

2906210000-苄醇
2907210001-间苯二酚
2912110000-甲醛
2912210000-苯甲醛
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主要参考文献

1: Nemoto O, Hayashi N, Kitahara Y, Furue M, Hojo S, Nomoto M, Shima S; Japanese E6005 Study Investigators.. Effect of topical phosphodiesterase 4 inhibitor E6005 on Japanese children with atopic dermatitis: Results from a randomized, vehicle-controlled exploratory trial. J Dermatol. 2016 Aug;43(8):881-7. doi: 10.1111/1346-8138.13231. doi: 10.1016/j.jchromb.2015.06.023. . Safety and efficacy of topical E6005, a phosphodiesterase 4 inhibitor, in Japanese adult patients with atopic dermatitis: results of a randomized, vehicle-controlled, multicenter clinical trial. J Dermatol. 2014 Jul;41(7):577-85. doi: 10.1111/1346-8138.12534. doi: 10.3109/09546634.2015.1093587. doi: 10.3109/09546634.2016.1157257. doi: 10.1016/j.jdermsci.2014.10.005. doi: 10.1111/exd.12606. doi: 10.1016/j.ejphar.2015.10.013. doi: 10.1124/jpet.113.205542. doi: 10.1111/exd.12377. doi: 10.1016/j.jdermsci.2014.09.010. doi: 10.1097/MD.0000000000006005.
13: Mano Y, Kita K, Kusano K. Hematocrit-independent recovery is a key for bioanalysis using volumetric absorptive microsampling devices, Mitra™. Bioanalysis. 2015;7(15):1821-9. doi: 10.4155/bio.15.111. doi: 10.1371/journal.pone.0006005.
15: Kuo I I, Fischer B, Vlahov D. Consideration of a North American heroin-assisted clinical trial for the treatment of opiate-dependent individuals. Int J Drug Policy. 2000 Sep 1;11(5):357-370.