首页分子通化学资讯化学百科反应查询关于我们

请输入关键词

历史搜索

热门化合物HOT

喹啉
水杨醛
二溴甲烷
谷胱甘肽
L-乳酸
苯巴比妥
辣椒碱
非那明
百草枯
联苯烯

3-[methyl(methylsulfonyl)amino]-5-((1R)-1-phenylethylaminocarbonyl)benzoate acid | 695215-92-0

分子结构分类

有机化合物 - 苯类化合物 - 苯和取代衍生物

中文名称

——

中文别名

——

英文名称

3-[methyl(methylsulfonyl)amino]-5-((1R)-1-phenylethylaminocarbonyl)benzoate acid

英文别名

(R)-3-(N-methylmethan-5-ylsulfonamido)-5-((1-phenylethyl)carbamoyl)benzoic acid；5-[methyl(methylsulfonyl)amino]-3-[(R)-1-phenylethylaminocarbonyl] benzoic acid；(R)-3-(N-methylmethylsulfonamido)-5-[(1-phenylethyl)-carbamoyl]-benzoic acid；(R)-3-(N-methylmethylsulfonamido)-5-((1-phenylethyl)carbamoyl)benzoic acid；5-(N-methanesulfonyl-N-methyl-amino)-N-(1-phenyl-ethyl)-isophthalamic acid；5-(methanesulfonylmethylamino)-N-((R)-1-phenyl-ethyl)-isophthalamic acid；3-[Methyl(methylsulfonyl)amino]-5-({[(1R)-1-phenylethyl]amino}-carbonyl)benzoic acid；3-[methyl(methylsulfonyl)amino]-5-[[(1R)-1-phenylethyl]carbamoyl]benzoic acid

3-[methyl(methylsulfonyl)amino]-5-((1R)-1-phenylethylaminocarbonyl)benzoate acid化学式

CAS

695215-92-0

化学式

C₁₈H₂₀N₂O₅S

mdl

——

分子量

376.433

InChiKey

VPAWVSICUHKOES-GFCCVEGCSA-N

BEILSTEIN

——

EINECS

——

物化性质

密度：

1.347±0.06 g/cm3(Predicted)

计算性质

辛醇/水分配系数(LogP)：

1.8
重原子数：

26
可旋转键数：

6
环数：

2.0
sp3杂化的碳原子比例：

0.22
拓扑面积：

112
氢给体数：

2
氢受体数：

6

SDS

SDS：78c5dd6d6c55a098c870771d24902e23

查看

上下游信息

上游原料

中文名称	英文名称	CAS号	化学式	分子量
——	methyl-3-[methyl(methylsulfonyl)amino]-5-((1R)-1-phenylethylaminocarbonyl)benzoate	695215-95-3	C₁₉H₂₂N₂O₅S	390.46
3-(甲氧基羰基)-5-(n-甲基甲基磺酰胺)苯甲酸	3-(methoxycarbonyl)-5-[methyl(methylsulfonyl)amino]benzoic acid	695215-94-2	C₁₁H₁₃NO₆S	287.293
5-(n-甲基甲基磺酰胺)异邻苯二甲酸二甲酯	dimethyl-5-[methyl(methylsulfonyl)amino]isophthalate	695215-93-1	C₁₂H₁₅NO₆S	301.32
5-(甲基磺酰胺)异邻苯二甲酸二甲酯	5-methanesulphonylamino-isophthalic acid dimethyl ester	62814-45-3	C₁₁H₁₃NO₆S	287.293

下游产品

中文名称	英文名称	CAS号	化学式	分子量
——	3-N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]-5-[methyl(methylsulfonyl)amino]-1-N-[(1R)-1-phenylethyl]benzene-1,3-dicarboxamide	926019-05-8	C₂₇H₃₁N₃O₅S	509.626
——	N-(3-benzyloxy-2-benzyloxymethyl-2-hydroxypropyl)-5-(methanesulfonylmethylamino)-N'-((R)-1-phenylethyl)isophthalamide	1201901-91-8	C₃₆H₄₁N₃O₇S	659.803
——	N-[(S,R)-2-(benzylaminomethyl)-3-benzyloxy-2-hydroxypropyl]-5-(methanesulfony(methyl)amino)-N'-((R)-1-phenylethyl)isophthalamide	1201901-87-2	C₃₆H₄₂N₄O₆S	658.819
——	3-N-[(2S)-1-hydroxy-3-thiophen-3-ylpropan-2-yl]-5-[methyl(methylsulfonyl)amino]-1-N-[(1R)-1-phenylethyl]benzene-1,3-dicarboxamide	926018-69-1	C₂₅H₂₉N₃O₅S₂	515.654
——	N-((S)-3-benzyloxy-2-cyclopropyl(amino)methyl-2-hydroxypropyl)-5-(methanesulfonylmethylamino)-N'-((R)-1-phenylethyl)isophthalamide	1201901-58-7	C₃₂H₄₀N₄O₆S	608.759
——	N-((R)-3-benzyloxy-2-cyclopropyl(amino)methyl-2-hydroxypropyl)-5-(methanesulfonylmethylamino)-N'-((R)-1-phenylethyl)isophthalamide	1201901-57-6	C₃₂H₄₀N₄O₆S	608.759
——	N-{(S,R)-3-benzyloxy-2-hydroxy-2-[(3-methoxy-benzylamino)methyl]propyl}-5-(methanesulfonylmethylamino)-N'-((R)-1-phenylethyl)isophthalamide	1201901-88-3	C₃₇H₄₄N₄O₇S	688.845
——	N-((S,R)-3-benzyloxy-2-hydroxy-2-phenylamino-methylpropyl)-5-(methanesulfonylmethylamino)-N'-((R)-1-phenylethyl)isophthalamide	1201901-89-4	C₃₅H₄₀N₄O₆S	644.792
——	N-[(R,S)-2-(N'-benzoylhydrazinomethyl)-3-benzyloxy-2-hydroxypropyl]-5-(methanesulfonylmethyl-amino)-N'-((R)-1-phenylethyl)isophthalamide	1201901-90-7	C₃₆H₄₁N₅O₇S	687.817
——	3-N-[(2R,3S)-2-hydroxy-1-[(3-methoxyphenyl)methylamino]-5-methylhexan-3-yl]-5-[methyl(methylsulfonyl)amino]-1-N-[(1R)-1-phenylethyl]benzene-1,3-dicarboxamide	1013030-16-4	C₃₃H₄₄N₄O₆S	624.802
——	5-[methyl(methylsulfonyl)amino]-3-N-[(2S)-1-[[(2S)-1-(2-methylpropylamino)-1-oxobutan-2-yl]amino]-3-phenylpropan-2-yl]-1-N-[(1R)-1-phenylethyl]benzene-1,3-dicarboxamide	1399316-10-9	C₃₅H₄₇N₅O₅S	649.855
——	3-N-[(2S,3R)-3-hydroxy-1-phenyl-4-(propan-2-ylamino)butan-2-yl]-5-[methyl(methylsulfonyl)amino]-1-N-[(1R)-1-phenylethyl]benzene-1,3-dicarboxamide	1013030-17-5	C₃₁H₄₀N₄O₅S	580.748
——	(3S,4S)-3-hydroxy-4-[[3-[methyl(methylsulfonyl)amino]-5-[[(1R)-1-phenylethyl]carbamoyl]benzoyl]amino]-5-phenylpentanoic acid	1415034-18-2	C₂₉H₃₃N₃O₇S	567.663
——	β-secretase inhibitor IV	——	C₃₁H₃₈N₄O₅S	578.733
——	N-{(S,R)-2-[((S)-1-benzylcarbamoyl-2-methyl-propylamino)-methyl]-3-benzyloxy-2-hydroxypropyl}-5-(methanesulfonylmethylamino)-N'-((R)-1-phenylethyl)-isophthalamide	1201901-85-0	C₄₁H₅₁N₅O₇S	757.951
——	(1S,2R)-N-{1-benzyl-2-hydroxy-3-(S)-[2-(1-benzylpiperidin-4-yl)ethylamino]-propyl}-5-[methyl(methylsulfonyl)amino]-N'-[(R)-1-phenylethyl]isophthalamide	1116134-40-7	C₄₂H₅₃N₅O₅S	739.979
——	N-[(2s)-1-({(2s,3r)-3-Hydroxy-1-[(2-Methylpropyl)amino]-1-Oxobutan-2-Yl}amino)-3-Phenylpropan-2-Yl]-5-[methyl(Methylsulfonyl)amino]-N'-[(1r)-1-Phenylethyl]benzene-1,3-Dicarboxamide	1228072-74-9	C₃₅H₄₇N₅O₆S	665.854
——	tert-butyl (3S,4S)-3-hydroxy-4-[[3-[methyl(methylsulfonyl)amino]-5-[[(1R)-1-phenylethyl]carbamoyl]benzoyl]amino]-5-phenylpentanoate	1415034-16-0	C₃₃H₄₁N₃O₇S	623.77
——	(1S,2R)-N-{1-benzyl-2-hydroxy-3-(S)-[(1-benzylpiperidin-4-yl)amino]-propyl}-5-[methyl(methylsulfonyl)amino]-N'-[(R)-1-phenylethyl]isophthalamide	1116134-36-1	C₄₀H₄₉N₅O₅S	711.926
——	(1S,2R)-N-{1-benzyl-2-hydroxy-3-(S)-[(1-benzylpiperidin-4-yl)methylamino]-propyl}-5-[methyl(methylsulfonyl)amino]-N'-[(R)-1-phenylethyl]isophthalamide	1116134-38-3	C₄₁H₅₁N₅O₅S	725.952
——	N-[(1S,2S,4R)-1-(3,5-difluoro-phenoxymethyl)-2,5-dihydroxy-4-methoxy-pentyl]-5-(methanesulfonyl-N-methyl-amino)-N'-(1-(1R)-phenylethyl)-isophthalamide	1216935-20-4	C₃₁H₃₇F₂N₃O₈S	649.713
——	N-[(1S,2S)-3-cyclopropylcarbamoyl-1-(3,5-difluorophenoxymethyl)-2-hydroxy-propyl]-5-((methanesulfonyl)(methyl)amino)-N'-((R)-1-phenyl-ethyl)-isophthalic acid diamide	1092973-34-6	C₃₂H₃₆F₂N₄O₇S	658.723
——	N-[(1S,2S,4R)-1-(3,5-difluoro-phenoxymethyl)-2-hydroxy-4,5-dimethoxy-pentyl]-5-(methanesulfonyl-N-methyl-amino)-N'-(1-(1R)-phenylethyl)-isophthalamide	1216935-21-5	C₃₂H₃₉F₂N₃O₈S	663.74
——	GRL-7234	940948-68-5	C₃₆H₅₅N₅O₇S	701.928
——	3-N-[(2S)-1-[[(2S,3S)-3-methoxy-1-(2-methylpropylamino)-1-oxobutan-2-yl]amino]-3-phenylpropan-2-yl]-5-[methyl(methylsulfonyl)amino]-1-N-[(1R)-1-phenylethyl]benzene-1,3-dicarboxamide	1399316-48-3	C₃₆H₄₉N₅O₆S	679.881
——	N-[(1S,2S,4R)-1-(3,5-difluoro-phenoxymethyl)-2-hydroxy-4-methoxy-5-phenoxy-pentyl]-5-(methanesulfonyl-N-methyl-amino)-N'-(1-(1R)-phenyl-ethyl)-isophthalamide	1216935-25-9	C₃₇H₄₁F₂N₃O₈S	725.811
——	N-[(1S,2S,4R)-1-(3,5-difluoro-phenoxymethyl)-2-hydroxy-5-isobutoxy-4-methoxy-pentyl]-5-(methanesulfonyl-N-methyl-amino)-N'-(1-(1R)-phenyl-ethyl)-isophthalamide	1221399-19-4	C₃₅H₄₅F₂N₃O₈S	705.82
——	N-[(1S,2S,4R)-5-allyloxy-1-(3,5-difluoro-phenoxymethyl)-2-hydroxy-4-methoxy-pentyl]-5-(methanesulfonyl-N-methyl-amino)-N'-(1-(1R)-phenyl-ethyl)-isophthalamide	1216935-27-1	C₃₄H₄₁F₂N₃O₈S	689.778
——	N-[(1S,2S,4R)-5-benzyloxy-1-(3,5-difluoro-phenoxymethyl)-2-hydroxy-4-methoxy-pentyl]-5-(methanesulfonyl-N-methyl-amino)-N'-(1-(1R)-phenyl-ethyl)-isophthalamide	1216935-30-6	C₃₈H₄₃F₂N₃O₈S	739.838
——	N-[(1S,2S,4R)-5-cyclopropylmethoxy-1-(3,5-difluoro-phenoxymethyl)-2-hydroxy-4-methoxy-pentyl]-5-(methanesulfonyl-N-methyl-amino)-N'-(1-(1R)-phenyl-ethyl)-isophthalamide	1216935-23-7	C₃₅H₄₃F₂N₃O₈S	703.805
——	N-[1-(1S)-(3,5-difluoro-phenoxymethyl)-2-(2S)-hydroxy-4-(4R)-methoxy-5-phenylamino-pentyl]-5-(methanesulfonyl-N-methyl-amino)-N'-(1-(1R)-phenyl-ethyl)-isophthalamide	1216935-26-0	C₃₇H₄₂F₂N₄O₇S	724.826
——	N-[(1S,2S,4R)-1-(3,5-difluoro-phenoxymethyl)-5-(4-fluorobenzyloxy)-2-hydroxy-4-methoxy-pentyl]-5-(methanesulfonyl-N-methylamino)-N'-(1-(1R)-phenyl-ethyl)-isophthalamide	1216935-28-2	C₃₈H₄₂F₃N₃O₈S	757.828
——	3-N-[(2S,3R)-3-hydroxy-4-[[(2S)-3-methyl-1-oxo-1-(propan-2-ylamino)butan-2-yl]amino]-1-phenylbutan-2-yl]-5-[methyl(methylsulfonyl)amino]-1-N-[(1R)-1-phenylethyl]benzene-1,3-dicarboxamide	1013030-11-9	C₃₆H₄₉N₅O₆S	679.881
——	N-[(1S,2S,4R)-1-(3,5-difluoro-phenoxymethyl)-2-hydroxy-4-methoxy-5-(4,4,4-trifluoro-butoxy)-pentyl]-5-(methanesulfonyl-N-methyl-amino)-N'-(1-(1R)-phenyl-ethyl)-isophthalamide	1221399-20-7	C₃₅H₄₂F₅N₃O₈S	759.792
——	N-[(1S,2S,4R)-1-(3,5-difluoro-phenoxymethyl)-2-hydroxy-4-methoxy-5-(4-methoxy-benzyloxy)-pentyl]-5-(methanesulfonyl-N-methyl-amino)-N'-(1-(1R)-phenyl-ethyl)-isophthalamide	1216935-31-7	C₃₉H₄₅F₂N₃O₉S	769.864
——	3-N-[(2S,3R)-3-hydroxy-4-(1H-indol-6-ylmethylamino)-1-phenylbutan-2-yl]-5-[methyl(methylsulfonyl)amino]-1-N-[(1R)-1-phenylethyl]benzene-1,3-dicarboxamide	1013030-13-1	C₃₇H₄₁N₅O₅S	667.829
——	N-[(1S,2S,4R)-1-(3,5-difluoro-phenoxymethyl)-5-(4-fluorophenylamino)-2-hydroxy-4-methoxy-pentyl]-5-(methanesulfonyl-N-methyl-amino)-N'-(1-(1R)-phenyl-ethyl)-isophthalamide	1216935-32-8	C₃₇H₄₁F₃N₄O₇S	742.816
——	N-[(2s,3r)-3-Hydroxy-4-({(2s,3s)-3-Hydroxy-1-[(2-Methylpropyl)amino]-1-Oxobutan-2-Yl}amino)-1-Phenylbutan-2-Yl]-5-[methyl(Methylsulfonyl)amino]-N'-[(1r)-1-Phenylethyl]benzene-1,3-Dicarboxamide	1463439-23-7	C₃₆H₄₉N₅O₇S	695.88
——	N-{(S,R)-3-benzyloxy-2-hydroxy-2-[((1S,2R)-2-hydroxyindan-1-ylamino)methyl]propyl}-5-(methanesulfonylmethylamino)-N'-((R)-1-phenylethyl)isophthalamide	1201901-86-1	C₃₈H₄₄N₄O₇S	700.856
——	N-{(2S)-2-[4-(1-benzylpiperidin-4-yl)]ethyl-carbamoyl-3-hydroxy-1-phenylbut-2-yl}-5-[methyl-(methylsulfonyl)amino]-N'-[(R)-1-phenylethyl]isophthalamide	1116134-25-8	C₄₂H₅₁N₅O₆S	753.963
——	N-[(1S,2S,4R)-4-benzylcarbamoyl-1-(3,5-difluorophenoxymethyl)-2-hydroxy-4-methoxybutyl]-5-(methanesulfonyl(methyl)amino)-N'-((R)-1-phenyl-ethyl)-isophthalamide	1067651-24-4	C₃₈H₄₂F₂N₄O₈S	752.836
——	N-{(2S)-2-[4-(1-benzylpiperidin-4-yl)]carbamoyl-3-hydroxy-1-phenylbut-2-yl}-5-[methyl(methylsulfonyl)amino]-N'-[(R)-1-phenylethyl]isophthalamide	1116134-20-3	C₄₀H₄₇N₅O₆S	725.909
——	N-[(1S,2S,4R)-1-(3,5-difluorophenoxymethyl)-2-hydroxy-4-isobutylcarbamoyl-4-methoxy-butyl]-5-(methanesulfonyl(methyl)amino)-N'-((R)-1-phenyl-ethyl)-isophthalamide	1067651-23-3	C₃₅H₄₄F₂N₄O₈S	718.819
——	N-{(2S)-2-[4-(1-benzylpiperidin-4-yl)]methylcarbamoyl-3-hydroxy-1-phenylbut-2-yl}-5-[methyl-(methylsulfonyl)amino]-N'-[(R)-1-phenylethyl]isophthalamide	1116134-22-5	C₄₁H₄₉N₅O₆S	739.936
——	N-[(1S,2S,4R)-1-(3,5-difluoro-phenoxymethyl)-2-hydroxy-4-methoxy-5-(3-methoxy-benzyloxy)-pentyl]-5-(methanesulfonyl-N-methyl-amino)-N'-(1-(1R)-phenyl-ethyl)-isophthalamide	1216935-29-3	C₃₉H₄₅F₂N₃O₉S	769.864
——	N-[(1S,2S,4R)-4-cyclopropylcarbamoyl-1-(3,5-difluorophenoxymethyl)-2-hydroxy-4-methoxy-butyl]-5-(methanesulfonyl(methyl)amino)-N'-((R)-1-phenyl-ethyl)-isophthalamide	1067651-22-2	C₃₄H₄₀F₂N₄O₈S	702.776
——	N-[(1S,2S,4S)-4-((S)-1-benzylcarbamoyl-2-methylpropylcarbamoyl)-1-benzyloxymethyl-2-hydroxy-5-methylhexyl]-5-(methanesulphonylmethylamino)-N'-((R)-1-phenylethyl)isophthalamide	1067648-24-1	C₄₆H₅₉N₅O₈S	842.069
——	N-[(1S,2S,4R)-1-(3,5-difluorophenoxymethyl)-2-hydroxy-4-methoxy-4-phenylcarbamoylbutyl]-5-(methanesulfonyl(methyl)amino)-N'-((R)-1-phenyl-ethyl)-isophthalamide	1067651-25-5	C₃₇H₄₀F₂N₄O₈S	738.809
——	5-((S)-2-{(3S,4S)-5-(3,5-difluoro-phenoxy)-3-hydroxy-4-[3-((methanesulfonyl)(methyl)amino)-5-((R)-(1-phenylethyl)carbamoyl)-benzoylamino]-pentanoylamino}-3-methylbutyrylamino)isophthalic acid dimethyl ester	1092973-27-7	C₄₄H₄₉F₂N₅O₁₂S	909.962
——	N-[(1S,2S)-3-((S)-1-benzylcarbamoyl-2-methyl-propylcarbamoyl)-1-(3,5-difluoro-phenoxymethyl)-2-hydroxy-propyl]-5-((methanesulfonyl)(methyl)amino)-N'-((R)-1-phenyl-ethyl)isophthalic acid diamide	1092973-39-1	C₄₁H₄₇F₂N₅O₈S	807.916
——	N-[(1S,2S,4R)-1-(3,5-difluorophenoxymethyl)-4-(4-fluoro-phenylcarbamoyl)-2-hydroxy-4-methoxy-butyl]-5-(methanesulfonyl(methyl)amino)-N'-((R)-1-phenyl-ethyl)-isophthalamide	1067651-26-6	C₃₇H₃₉F₃N₄O₈S	756.8
——	N-[(1S,4R)-4-((S)-1-benzylcarbamoyl-2-methylpropylcarbamoyl)-1-(3,5-difluoro-phenoxymethyl)-4-methoxybutyl]-5-(N-methanesulfonyl-N-methyl-amino)-N'-((R)-1-phenylethyl)-isophthalamide	1219915-53-3	C₄₃H₅₁F₂N₅O₈S	835.969
——	N-[(1S,2R,4R)-4-((S)-1-benzylcarbamoyl-2-methylpropylcarbamoyl)-1-(3,5-difluoro-phenoxymethyl)-2-hydroxy-4-methoxy-butyl]-5-(N-methanesulfonyl-N-methyl-amino)-N'-((R)-1-phenyl-ethyl)-isophthalamide	1219915-54-4	C₄₃H₅₁F₂N₅O₉S	851.969
——	N-[(1S,2S,4R)-4-((S)-1-benzylcarbamoyl-2-methyl-propylcarbamoyl)-1-(3,5-difluorophenoxymethyl)-2-hydroxy-4-methoxy-butyl]-5-(methanesulfonyl(methyl)amino)-N'-((R)-1-phenyl-ethyl)-isophthalamide	1067651-20-0	C₄₃H₅₁F₂N₅O₉S	851.969
——	3-N-[(2S,3R)-3-hydroxy-4-[(1-methylsulfonylindol-6-yl)methylamino]-1-phenylbutan-2-yl]-5-[methyl(methylsulfonyl)amino]-1-N-[(1R)-1-phenylethyl]benzene-1,3-dicarboxamide	1013030-14-2	C₃₈H₄₃N₅O₇S₂	745.921
——	N-[(1S,2S,4R)-4-((S)-1-benzylcarbamoyl-2-methylpropylcarbamoyl)-1-(3,5-difluoro-phenoxymethyl)-4-ethoxy-2-hydroxy-butyl]-5-(N-methanesulfonyl-N-methyl-amino)-N'-((R)-1-phenyl-ethyl)-isophthalamide	1067651-44-8	C₄₄H₅₃F₂N₅O₉S	865.996
——	N-[(1S,2S,4R)-4-((S)-1-benzylcarbamoyl-2-methylpropylcarbamoyl)-1-(3,5-difluoro-phenoxymethyl)-2-hydroxy-4-propyloxy-butyl]-5-(N-methanesulfonyl-N-methyl-amino)-N'-((R)-1-phenyl-ethyl)-isophthalamide	1067651-47-1	C₄₅H₅₅F₂N₅O₉S	880.023
——	N-[(1S,2S,4R)-4-((S)-1-benzylcarbamoyl-2-methylpropylcarbamoyl)-4-allyloxy-1-(3,5-difluoro-phenoxymethyl)-2-hydroxy-butyl]-5-(N-methanesulfonyl-N-methyl-amino)-N'-((R)-1-phenyl-ethyl)-isophthalamide	1067651-46-0	C₄₅H₅₃F₂N₅O₉S	878.007
——	N-[(1S,2S,4R)-4-((S)-1-benzylcarbamoyl-2-methylpropylcarbamoyl)-1-(3,5-difluoro-phenoxymethyl)-2-hydroxy-4-(2-methoxy-ethoxy)-butyl]-5-(N-methanesulfonyl-N-methylamino)-N'-((R)-1-phenyl-ethyl)-isophthalamide	1067651-45-9	C₄₅H₅₅F₂N₅O₁₀S	896.022
——	N-[(1S,2S,4R)-4-((S)-1-benzylcarbamoyl-2-methylpropylcarbamoyl)-4-cyclopropylmethoxy-1-(3,5-difluorophenoxymethyl)-2-hydroxy-butyl]-5-(N-methanesulfonyl-N-methyl-amino)-N'-((R)-1-phenyl-ethyl)-isophthalamide	1219915-52-2	C₄₆H₅₅F₂N₅O₉S	892.034
——	N-[(1S,2S,4R)-4-((S)-1-benzylcarbamoyl-2-methylpropylcarbamoyl)-4-benzyloxy-1-(3,5-difluoro-phenoxymethyl)-2-hydroxy-butyl]-5-(N-methanesulfonyl-N-methyl-amino)-N'-((R)-1-phenyl-ethyl)-isophthalamide	1067651-43-7	C₄₉H₅₅F₂N₅O₉S	928.067
——	methyl (2S)-1-[(2R)-2-[[(2S)-2-[[(2S)-2-[[(3S,4S)-3-hydroxy-4-[[3-[methyl(methylsulfonyl)amino]-5-[[(1R)-1-phenylethyl]carbamoyl]benzoyl]amino]-5-phenylpentanoyl]amino]-4-methylpentanoyl]amino]propanoyl]-methylamino]-3-phenylpropanoyl]pyrrolidine-2-carboxylate	1415033-94-1	C₅₄H₆₉N₇O₁₁S	1024.25

反应信息

作为反应物：

描述：

3-[methyl(methylsulfonyl)amino]-5-((1R)-1-phenylethylaminocarbonyl)benzoate acid 在 N-羟基-7-氮杂苯并三氮唑、盐酸-N-乙基-Nˊ-(3-二甲氨基丙基)碳二亚胺、 N,N-二异丙基乙胺、 Methanaminium,N-[(dimethylamino)(3H-1,2,3-triazolo[4,5-b]pyridin-3-yloxy)methylene]-N-methyl-, hexafluorophosphate(1-) 、三氟乙酸作用下，以二氯甲烷为溶剂，反应 1.0h，生成 methyl (2S)-1-[(2R)-2-[[(2S)-2-[[(2S)-2-[[(3S,4S)-3-hydroxy-4-[[3-[methyl(methylsulfonyl)amino]-5-[[(1R)-1-phenylethyl]carbamoyl]benzoyl]amino]-5-phenylpentanoyl]amino]-4-methylpentanoyl]amino]propanoyl]-methylamino]-3-phenylpropanoyl]pyrrolidine-2-carboxylate

参考文献：

名称：

蓝藻肽作为有效的β-分泌酶抑制剂设计的原型以及其他天冬氨酸蛋白酶的选择性化学探针的开发

摘要：

受海洋蓝藻天然产物的启发，我们合成了具有中央他汀核心单元的修饰肽，该肽具有天冬氨酸蛋白酶抑制的特征。一系列他西酰胺B类似物抑制了BACE1，BACE1是阿尔茨海默氏病的治疗靶标。我们探查了靶标参与的立体特异性，并确定了与BACE1和相关天冬氨酸蛋白酶，组织蛋白酶D和E相关的其他结构-活性关系。我们将选定的抑制剂与BACE1共结晶，以揭示该活性的结构基础。结合了他西酰胺B和含有间苯二甲酸部分的磺酰胺特性的杂化分子显示出纳摩尔的细胞活性。在一系列严格的基于互补细胞的测定中筛选化合物。我们测量了分泌的APP胞外域（sAPPβ），膜结合的羧基末端片段（CTF），β-淀粉样蛋白（Aβ）肽的水平以及对β-分泌酶（BACE1）的选择性高于γ-分泌酶。优先化合物在体外和体内均显示出合理的稳定性，而我们最有效的抑制剂在降低啮齿动物大脑中的Aβ水平方面显示出功效。

DOI：

10.1021/jm301630s
作为产物：

描述：

5-氨基间苯二甲酸二甲酯在吡啶、 sodium hydroxide 、 sodium hydride 、 1-羟基苯并三唑、 1-(3-二甲基氨基丙基)-3-乙基碳二亚胺、 N,N-二异丙基乙胺作用下，以四氢呋喃、甲醇、二氯甲烷、水、 N,N-二甲基甲酰胺为溶剂，反应 53.0h，生成 3-[methyl(methylsulfonyl)amino]-5-((1R)-1-phenylethylaminocarbonyl)benzoate acid

参考文献：

名称：

以间苯二甲酰胺衍生物为P2-P3-配体的强力美皮素2（β-分泌酶）抑制剂的设计，合成和X射线结构。

摘要：

描述了基于结构的设计和许多有效的和选择性的memapsin 2抑制剂的合成。这些抑制剂是根据结合了美甲新素2的抑制剂3的X射线结构设计的，该抑制剂结合了甲基磺酰基丙氨酸作为P2-配体和取代的吡唑作为P3-配体。特别重要的是，我们研究了取代的间苯二甲酸酰胺衍生物模拟3-结合美普金2酶活性位点S2-S3区域中关键相互作用的能力。我们研究了各种取代的苯乙基，α-甲基苄基和恶唑基甲基组作为P3-配体。许多抑制剂对mempasin 2表现出非常强的抑制活性，对memapsin 1表现出良好的选择性。抑制剂5d显示出较低的纳摩尔酶抑制能力（Ki = 1。1 nM）和非常好的细胞抑制活性（IC50 = 39 nM）。此外，在一项初步研究中，抑制剂5d已显示，单次腹膜内给药（8 mg / kg）后，转基因小鼠的Abeta40产量降低了30％。5d结合的memapsin 2的蛋白质-配体X射线晶体结构提供了

DOI：

10.1021/jm061338s

点击查看最新优质反应信息

文献信息

Substituted 1,2-ethylenediamines, Methods for Preparing Them and Uses Thereof

申请人：Eickmeier Christian

公开号：US20060223759A1

公开（公告）日：2006-10-05

The present invention relates to substituted 1,2-ethylenediamines of general formula (I) wherein the groups R 1 to R 15 , A, B, L, i as well as X 1 -X 4 are defined as in the specification and claims and the use thereof for the treatment of Alzheimer's disease (AD) and similar diseases.

本发明涉及通式（I）的取代1,2-乙二胺化合物，其中基团R1至R15，A，B，L，i以及X1-X4如规范和权利要求中所定义，并且其用于治疗阿尔茨海默病（AD）和类似疾病。
Highly Selective and Potent Human β‐Secretase 2 (BACE2) Inhibitors against Type 2 Diabetes: Design, Synthesis, X‐ray Structure and Structure–Activity Relationship Studies

作者：Arun K. Ghosh、Margherita Brindisi、Yu‐Chen Yen、Emma K. Lendy、Satish Kovela、Emilio Leal Cárdenas、Bhavanam Sekhara Reddy、Kalapala Venketeswara Rao、Deborah Downs、Xiangping Huang、Jordan Tang、Andrew D. Mesecar

DOI：10.1002/cmdc.201800725

日期：——

was determined. Based on this structure, a computational docking study was performed which led to inhibitor 2 a-bound BACE2 models. These were used to optimize the potency and selectivity of inhibitors. A systematic structure-activity relationship study led to the identification of determinants of the inhibitors' potency and selectivity toward the BACE2 enzyme. Inhibitors 2 d [N3 -[(1S,2R)-1-benzyl-2-hydroxy-3-[[(1S

本文中，我们介绍了有效的和高度选择性的β-分泌酶2（memapsin 1，β位淀粉样蛋白前体蛋白裂解酶2或BACE 2）抑制剂的设计，合成和生物学评估。BACE2被公认为是2型糖尿病激动人心的新靶标。BACE1的X射线结构与抑制剂2 a N3-[（1S，2R）-1-苄基-2-羟基-3-[[（1S，2S）-2-羟基-1-（异丁基氨基甲酰基）丙基测定了含有羟乙胺等排异构体的[氨基]丙基] -5- [甲基（甲基磺酰基）氨基] -N1-[（（1R）-1-苯基丙基]苯-1,3-二甲酰胺）。基于该结构，进行了计算对接研究，其导致了抑制剂2a-结合的BACE2模型。这些用于优化抑制剂的效力和选择性。一项系统的结构-活性关系研究导致确定抑制剂对BACE2酶的效力和选择性的决定因素。抑制剂2 d [N3-[（1S，2R）-1-苄基-2-羟基-3-[[（1S，2S）-2-羟基-1-（异丁基氨基甲酰基）戊基]氨基]丙基]
COMPOUNDS FOR THE TREATMENT OF ALZHEIMER'S DISEASE

申请人：Fuchs Klaus

公开号：US20100144681A1

公开（公告）日：2010-06-10

The invention relates to substituted 1,2-ethylenediamines of general formula (I), wherein the radicals R 1 -R 13 , A, B, L and i are as defined in the description and the claims. The invention also relates to the use thereof for treating Alzheimer's disease (AD) and similar diseases.

该发明涉及一般式(I)的取代1,2-乙二胺化合物，其中基团R1-R13、A、B、L和i如描述和权利要求中所定义。该发明还涉及将其用于治疗阿尔茨海默病（AD）和类似疾病。
[EN] ASPARTYL PROTEASE INHIBITORS<br/>[FR] INHIBITEURS D'ASPARTYL PROTÉASE

申请人：MEDIVIR AB

公开号：WO2010107384A1

公开（公告）日：2010-09-23

A compound of formula (I) N-oxides, addition salts, quaternary amines metal complexes stereochemically isomeric forms and metabolites thereof, wherein A is CR1 Or N; formula (A) or formula (B) D is H, C1-C6alkyl, C2-C6alkenyl, C2-C6alkynyl, G is NR10 or O Q is C1-C6alkyl, C2-C6alkenyl, C2-C6alkynyl, C3-C6Cycloalkyl, aryl or heterocyclyl; W is H, C1-C6alkyl, C3-C6Cycloalkyl, CH2F, CHF2 or CF3; one of X' and X" is H or CH3, the other is C1-C3alkyl, F, OH, NRaRb, CF3 or N3; or X' and X" are both F; Y is NRd or O; Z is O, NRa, CHRd, CF2 or S(=0)r or a bond; the other variables are as defined in the specification. The compounds of the invention are inhibitors of BACE and are among other things useful for the treatment and/or prevention of conditions associated with BACE activity such as Alzheimer's disease.

公式（I）的化合物N-氧化物，加成盐，季铵盐金属配合物立体化异构体及其代谢物，其中A为CR1或N；公式（A）或公式（B）D为H，C1-C6烷基，C2-C6烯基，C2-C6炔基，G为NR10或O，Q为C1-C6烷基，C2-C6烯基，C2-C6炔基，C3-C6环烷基，芳基或杂环烷基；W为H，C1-C6烷基，C3-C6环烷基，CH2F，CHF2或CF3；X'和X"中的一个为H或CH3，另一个为C1-C3烷基，F，OH，NRaRb，CF3或N3；或者X'和X"都是F；Y为NRd或O；Z为O，NRa，CHRd，CF2或S（=0）r或键；其他变量如规范中定义。本发明的化合物是BACE的抑制剂，除其他用途外，还可用于治疗和/或预防与BACE活性相关的疾病，如阿尔茨海默病。
[EN] PHENYLCARBOXAMIDE BETA-SECRETASE INHIBITORS FOR THE TREATMENT OF ALZHEIMER'S DISEASE<br/>[FR] INHIBITEURS DE BETA-SECRETASE PHENYLCARBOXAMIDE UTILISES DANS LE TRAITEMENT DE LA MALADIE D'ALZHEIMER

申请人：MERCK & CO INC

公开号：WO2004043916A1

公开（公告）日：2004-05-27

The present invention is directed to compounds which are inhibitors of the beta-secretase enzyme and that are useful in the treatment or prevention of diseases in which the beta-secretase enzyme is involved, such as Alzheimer's disease. The invention is also directed to pharmaceutical compositions comprising these compounds and the use of these compounds and compositions in the prevention or treatment of such diseases in which the beta-secretase enzyme is involved.

本发明涉及一种抑制β-分泌酶的化合物，该化合物在治疗或预防涉及β-分泌酶的疾病方面具有用途，如阿尔茨海默病。该发明还涉及包含这些化合物的药物组合物，以及这些化合物和组合物在预防或治疗涉及β-分泌酶的疾病方面的用途。