832720-84-0 ((4-[[(1R)-2-[5-(2-Fluoro-3-methoxyphenyl)-3-[[2-fluoro-6-(trifluoromethyl)phenyl]methyl]-3,6-dihydro-4-methyl-2,6-dioxo-1(2H)-pyrimidinyl]-1-phenylethyl]amino] ethyl ester)

结构式：

4-[[(1R)-2-[5-(2-Fluoro-3-methoxyphenyl)-3-[[2-fluoro-6-(trifluoromethyl)phenyl]methyl]-3,6-dihydro-4-methyl-2,6-dioxo-1(2H)-pyrimidinyl]-1-phenylethyl]amino] ethyl esterMOL文件

CAS号：

832720-84-0

英文名称：

4-[[(1R)-2-[5-(2-Fluoro-3-methoxyphenyl)-3-[[2-fluoro-6-(trifluoromethyl)phenyl]methyl]-3,6-dihydro-4-methyl-2,6-dioxo-1(2H)-pyrimidinyl]-1-phenylethyl]amino] ethyl ester

分子式：

C₃₄H₃₄F₅N₃O₅

分子量：

659.642886638641

API：

Elagolix

4-[[(1R)-2-[5-(2-Fluoro-3-methoxyphenyl)-3-[[2-fluoro-6-(trifluoromethyl)phenyl]methyl]-3,6-dihydro-4-methyl-2,6-dioxo-1(2H)-pyrimidinyl]-1-phenylethyl]amino] ethyl ester(832720-84-0)名称与标识符

名称

英文别名：

4-[[(1R)-2-[5-(2-fluoro-3-methoxyphenyl)-3-[[2-fluoro-6-(trifluoromethyl)phenyl]methyl]-3,6-dihydro-4-methyl-2,6-dioxo-1(2H)-pyrimidinyl]-1-phenylethyl]amino] ethyl ester;Ethyl (R)-4-[[2-[5-(2-Fluoro-3-methoxyphenyl)-3-[2-fluoro-6-(trifluoromethyl)benzyl]-4-methyl-2,6-dioxo-2,3-dihydropyrimidin-1(6H)-yl]-1-phenylethyl]amino]butanoate;SY249983;Ethyl 4-[[(1R)-2-[5-(2-fluoro-3-methoxyphenyl)-3-[[2-fluoro-6-(trifluoromethyl)phenyl]methyl]-3,6-dihydro-4-methyl-2,6-dioxo-1(2H)-pyrimidinyl]-1-phenylethyl]amino]butanoate (ACI);(R)-Ethyl 4-(2-(3-(2-fluoro-6-(trifluoromethyl)benzyl)-5-(2-fluoro-3-methoxyphenyl)-4-methyl-2,6-dioxo-2,3-dihydropyrimidin-1(6H)-yl)-1-phenylethylamino)butanoate;4-[(R)-2-[5-(2-Fluoro-3-methoxyphenyl)-3-(2-fluoro-6-trifluoromethylbenzyl)-4-methyl-2,6-dioxo-3,6-dihydro-2H-pyrimidin-1-yl]-1-phenylethylamino]butyric acid ethyl ester;Ethyl (R)-4-[[2-[5-(2-fluoro-3-methoxyphenyl)-3-[2-fluoro-6-(trifluoromethyl)benzyl]-4-methyl-2,6-dioxo-3,6-dihydropyrimidin-1(2H)-yl]-1-phenylethyl]amino]butanoate;Ethyl (R)-4-((2-(5-(2-fluoro-3-methoxyphenyl)-3-(2-fluoro-6-(trifluoromethyl)benzyl)-4-methyl-2,6-dioxo-3,6-dihydropyrimidin-1(2H)-yl)-1-phenylethyl)amino)butanoate;3-[2(R)-{ethoxycarbonylpropyl-amino}-2-phenylethyl]-5-(2-fluoro-3-methoxyphenyl)-1-[2-fluoro-6-(trifluoromethyl)benzyl]-6-methyl-pyrimidine-2,4(1H,3H)-dione;SCHEMBL1642456;J4ABR9XH3P;4-((R)-2-(5-(2-Fluoro-3-methoxyphenyl)-3-(2-fluoro-6-trifluoromethylbenzyl)-4-methyl-2,6-dioxo-3,6-dihydro-2H-pyrimidin-1-yl)-1-phenylethylamino)butyric acid ethyl ester;UNII-J4ABR9XH3P;Butanoic acid, 4-[[(1R)-2-[5-(2-fluoro-3-methoxyphenyl)-3-[[2-fluoro-6-(trifluoromethyl)phenyl]methyl]-3,6-dihydro-4-methyl-2,6-dioxo-1(2H)-pyrimidinyl]-1-phenylethyl]amino]-, ethyl ester;AC6887;Ethyl 4-(((1R)-2-(5-(2-fluoro-3-methoxyphenyl)-3-((2-fluoro-6-(trifluoromethyl)phenyl)methyl)-3,6-dihydro-4-methyl-2,6-dioxo-1(2H)-pyrimidinyl)-1-phenylethyl)amino)butanoate;832720-84-0;Ethyl 4-[[(1R)-2-[5-(2-fluoro-3-methoxyphenyl)-3-[[2-fluoro-6-(trifluoromethyl)phenyl]methyl]-3,6-dihydro-4-methyl-2,6-dioxo-1(2H)-pyrimidinyl]-1-phenylethyl]amino]butanoate;4-((R)-2-[5-(2-fluoro-3-methoxy-phenyl)-3-(2-fluoro-6-trifluoromethyl-benzyl)-4-methyl-2,6-dioxo-3,6-dihydro-2H-pyrimidin-1-yl]-1-phenyl-ethylamino)-butyric acid ethyl ester;Butanoic acid, 4-(((1R)-2-(5-(2-fluoro-3-methoxyphenyl)-3-((2-fluoro-6-(trifluoromethyl)phenyl)methyl)-3,6-dihydro-4-methyl-2,6-dioxo-1(2H)-pyrimidinyl)-1-phenylethyl)amino)-, ethyl ester;

标识符

MDL：

MFCD31811618

InChIKey：

KSJCDYANYVOJPK-UHFFFAOYSA-N

Inchi：

1S/C34H34F5N3O5/c1-4-47-29(43)17-10-18-40-27(22-11-6-5-7-12-22)20-42-32(44)30(23-13-8-16-28(46-3)31(23)36)21(2)41(33(42)45)19-24-25(34(37,38)39)14-9-15-26(24)35/h5-9,11-16,27,40H,4,10,17-20H2,1-3H3

SMILES：

FC1C(=CC=CC=1C1C(N(C(N(CC2C(=CC=CC=2C(F)(F)F)F)C=1C)=O)CC(C1C=CC=CC=1)NCCCC(=O)OCC)=O)OC

4-[[(1R)-2-[5-(2-Fluoro-3-methoxyphenyl)-3-[[2-fluoro-6-(trifluoromethyl)phenyl]methyl]-3,6-dihydro-4-methyl-2,6-dioxo-1(2H)-pyrimidinyl]-1-phenylethyl]amino] ethyl ester(832720-84-0)物化性质

计算特性

精确分子量 : 659.24186200 g/mol
氢键供体数量 : 1
氢键受体数量 : 11
可旋转化学键数量 : 14
同位素质量 : 659.24186200 g/mol
重原子数量 : 47
复杂度 : 1110
同位素原子数量 : 0
确定原子立构中心数量 : 0
不确定原子立构中心数量 : 1
确定化学键立构中心数量 : 0
不确定化学键立构中心数量 : 0
共价键单元数量 : 1
疏水参数计算参考值（XlogP） : 5.6
拓扑分子极性表面积 : 88.2
分子量 : 659.6

4-[[(1R)-2-[5-(2-Fluoro-3-methoxyphenyl)-3-[[2-fluoro-6-(trifluoromethyl)phenyl]methyl]-3,6-dihydro-4-methyl-2,6-dioxo-1(2H)-pyrimidinyl]-1-phenylethyl]amino] ethyl ester(832720-84-0)推荐厂家更多厂家(9)

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广州浩若米科学仪器有限公司	13580490582 020-88526413	王颖	2634009245	询单

4-[[(1R)-2-[5-(2-Fluoro-3-methoxyphenyl)-3-[[2-fluoro-6-(trifluoromethyl)phenyl]methyl]-3,6-dihydro-4-methyl-2,6-dioxo-1(2H)-pyrimidinyl]-1-phenylethyl]amino] ethyl ester(832720-84-0)合成路线

合成路线：2 步

1150560-59-0

102089-75-8

832720-84-0

反应条件：

1.1 Reagents: Potassium carbonate Solvents: Dimethylformamide
1.2 Reagents: Methanesulfonic acid
2.1 Reagents: Diisopropylethylamine Solvents: Dimethylformamide ; 60 °C

参考文献：

Elagolix Sodium Salt and Its Synthetic Intermediates: A Spectroscopic, Crystallographic, and Conformational Study

Ciceri, Samuele ; et al, Molecules, 2023, 28(9),

81246-81-3(5'-O-[二(4-甲氧基苯基)苯基甲基]-3'-O-[(叔丁基)二甲基硅烷基]尿苷) 80791-88-4(3'-甲氧基-2-氨基腺苷) 80808-96-4(1,5-二甲基-3,7-二氮杂双环3.3.1壬-9-酮) 80912-60-3(4-(1,3-苯并二氧代l-5-基)-1-环己酮) 80959-18-8(2,5-DICHLOROBENZALDEHYDE) 811842-57-6(2'-(Trifluoromethyl)-4-biphenylamine hydrochloride (1:1)) 799262-09-2(4-羟基-5-氟-2H-色烯-2-酮) 79944-65-3(1-Chloro-3-(chloromethyl)-5-fluorobenzene)

960化工网为您提供4-[[(1R)-2-[5-(2-Fluoro-3-methoxyphenyl)-3-[[2-fluoro-6-(trifluoromethyl)phenyl]methyl]-3,6-dihydro-4-methyl-2,6-dioxo-1(2H)-pyrimidinyl]-1-phenylethyl]amino] ethyl ester专业化合物百科信息，包括中文名，英文名，分子式，分子量，以及该化合物的CasNo.832720-84-0,相关理化性质;并提供了优质生产厂家信息包括厂家名称和联系方式等。 WAP版:832720-84-0 国际站:832720-84-0