4-(4-tert-butoxycarbonylamino-phenylsulfanyl)-3-(7-isopropyl-pyrido[2,3-d]pyrimidin-4-ylamino)-benzoic acid | 943779-00-8

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

4-(4-tert-butoxycarbonylamino-phenylsulfanyl)-3-(7-isopropyl-pyrido[2,3-d]pyrimidin-4-ylamino)-benzoic acid

英文别名

4-[4-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl]sulfanyl-3-[(7-propan-2-ylpyrido[2,3-d]pyrimidin-4-yl)amino]benzoic acid

4-(4-tert-butoxycarbonylamino-phenylsulfanyl)-3-(7-isopropyl-pyrido[2,3-d]pyrimidin-4-ylamino)-benzoic acid化学式

CAS

943779-00-8

化学式

C₂₈H₂₉N₅O₄S

mdl

——

分子量

531.635

InChiKey

XELIWGPYXPOELO-UHFFFAOYSA-N

BEILSTEIN

——

EINECS

——

计算性质

辛醇/水分配系数(LogP)：

6
重原子数：

38
可旋转键数：

9
环数：

4.0
sp3杂化的碳原子比例：

0.25
拓扑面积：

152
氢给体数：

3
氢受体数：

9

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
——	4-(4-tert-Butoxycarbonylamino-phenylsulfanyl)-3-(7-isopropyl-pyrido[2,3-d]pyrimidin-4-ylamino)-benzoic acid methyl ester	943778-99-2	C₂₉H₃₁N₅O₄S	545.662

下游产品

中文名称	英文名称	CAS号	化学式	分子量
——	{4-[4-Benzylcarbamoyl-2-(7-isopropyl-pyrido[2,3-d]pyrimidin-4-ylamino)-phenylsulfanyl]-phenyl}-carbamic acid tert-butyl ester	943779-93-9	C₃₅H₃₆N₆O₃S	620.775
——	tert-butyl 4,4'-(4,4'-(ethane-1,2-diylbis(azanediyl))bis(oxomethylene)bis(2-(7-isopropylpyrido[2,3-d]pyrimidin-4-ylamino)-4,1-phenylene))bis(sulfanediol)bis(4,1-phenylene)dicarbamate	1229699-01-7	C₅₈H₆₂N₁₂O₆S₂	1087.34
——	tert-butyl 4,4'-(4,4'-(hydrazine-1,2-diylbis(oxomethylene))bis(2-(7-isopropylpyrido[2,3-d]pyrimidin-4-ylamino)-4,1-phenylene))bis(sulfanediol)bis(4,1-phenylene)dicarbamate	1229698-95-6	C₅₆H₅₈N₁₂O₆S₂	1059.29
——	(S)-{4-[2-(7-isopropyl-pyrido[2,3-d]pyrimidin-4-ylamino)-4-(1-phenyl-ethylcarbamoyl)-phenylsulfanyl]-phenyl}-carbamic acid tert-butyl ester	943779-01-9	C₃₆H₃₈N₆O₃S	634.802
——	(r)-{4-[2-(7-Isopropyl-pyrido[2,3-d]pyrimidin-4-ylamino)-4-(1-phenyl-ethylcarbamoyl)-phenylsulfanyl]-phenyl}-carbamic acid tert-butyl ester	943779-03-1	C₃₆H₃₈N₆O₃S	634.802
——	4-(4-(tert-butoxycarbonylamino)phenylthio)-N-(4-(4-(tert-butoxycarbonylamino)phenylthio)-3-(7-isopropylpyrido[2,3-d]pyrimidin-4-ylamino)phenyl)-3-(7-isopropylpyrido[2,3-d]pyrimidin-4-ylamino)benzamide	1229699-08-4	C₅₅H₅₇N₁₁O₅S₂	1016.26
——	(RS)-{4-[2-(7-Isopropyl-pyrido[2,3-d]pyrimidin-4-ylamino)-4-(1-pyridin-4-yl-ethylcarbamoyl)-phenylsulfanyl]-phenyl}-carbamic acid tert-butyl ester	943779-34-8	C₃₅H₃₇N₇O₃S	635.79
——	tert-butyl N-[4-[4-[[(1S)-1-(4-methylphenyl)ethyl]carbamoyl]-2-[(7-propan-2-ylpyrido[2,3-d]pyrimidin-4-yl)amino]phenyl]sulfanylphenyl]carbamate	943779-11-1	C₃₇H₄₀N₆O₃S	648.829
——	tert-butyl N-[4-[4-[[(1S)-1-(4-bromophenyl)ethyl]carbamoyl]-2-[(7-propan-2-ylpyrido[2,3-d]pyrimidin-4-yl)amino]phenyl]sulfanylphenyl]carbamate	943779-09-7	C₃₆H₃₇BrN₆O₃S	713.698
——	tert-butyl 4-(2-(7-isopropylpyrido[2,3-d]pyrimidin-4-ylamino)-4-(piperazine-1-carbonyl)phenylthio)phenylcarbamate	1229699-02-8	C₃₂H₃₇N₇O₃S	599.757
——	tert-butyl N-[4-[4-[1-(3-methylphenyl)ethylcarbamoyl]-2-[(7-propan-2-ylpyrido[2,3-d]pyrimidin-4-yl)amino]phenyl]sulfanylphenyl]carbamate	1439557-96-6	C₃₇H₄₀N₆O₃S	648.829
——	tert-butyl N-[4-[4-[[(1S)-1-naphthalen-2-ylethyl]carbamoyl]-2-[(7-propan-2-ylpyrido[2,3-d]pyrimidin-4-yl)amino]phenyl]sulfanylphenyl]carbamate	943779-24-6	C₄₀H₄₀N₆O₃S	684.862
——	(S)-{4-[4-[1-(4-fluoro-phenyl)-ethylcarbamoyl]-2-(7-isopropyl-pyrido[2,3-d]pyrimidin-4-ylamino)-phenylsulfanyl]-phenyl}-carbamic acid tert-butyl ester	943779-05-3	C₃₆H₃₇FN₆O₃S	652.793
——	tert-butyl 4,4'-(4,4'-(piperazine-1,4-diylbis(oxomethylene))bis(2-(7-isopropylpyrido[2,3-d]pyrimidin-4-ylamino)-4,1-phenylene))bis(sulfanediol)bis(4,1-phenylene)dicarbamate	1229699-03-9	C₆₀H₆₄N₁₂O₆S₂	1113.38
——	tert-butyl 4-(4-amino-2-(7-isopropylpyrido[2,3-d]pyrimidin-4-ylamino)phenylthio)phenylcarbamate	1229698-96-7	C₂₇H₃₀N₆O₂S	502.64
——	{4-[2-(7-Isopropyl-pyrido[2,3-d]pyrimidin-4-ylamino)-4-(1-methyl-1-phenyl-ethylcarbamoyl)-phenylsulfanyl]-phenyl}-carbamic acid tert-butyl ester	943780-09-4	C₃₇H₄₀N₆O₃S	648.829
——	tert-butyl N-[4-[4-[[(1R)-1-phenylpropyl]carbamoyl]-2-[(7-propan-2-ylpyrido[2,3-d]pyrimidin-4-yl)amino]phenyl]sulfanylphenyl]carbamate	943779-50-8	C₃₇H₄₀N₆O₃S	648.829
——	tert-butyl N-[4-[4-[[(1S)-1-phenylpropyl]carbamoyl]-2-[(7-propan-2-ylpyrido[2,3-d]pyrimidin-4-yl)amino]phenyl]sulfanylphenyl]carbamate	943779-45-1	C₃₇H₄₀N₆O₃S	648.829
——	tert-butyl N-[4-[4-[[(1S)-1-(4-methoxyphenyl)ethyl]carbamoyl]-2-[(7-propan-2-ylpyrido[2,3-d]pyrimidin-4-yl)amino]phenyl]sulfanylphenyl]carbamate	943779-13-3	C₃₇H₄₀N₆O₄S	664.828
——	tert-butyl N-[4-[4-[1-(3-bromophenyl)ethylcarbamoyl]-2-[(7-propan-2-ylpyrido[2,3-d]pyrimidin-4-yl)amino]phenyl]sulfanylphenyl]carbamate	1439558-51-6	C₃₆H₃₇BrN₆O₃S	713.698
——	(r)-{4-[4-(2-Hydroxy-1-phenyl-ethylcarbamoyl)-2-(7-isopropyl-pyrido[2,3-d]pyrimidin-4-ylamino)-phenylsulfanyl]-phenyl}-carbamic acid tert-butyl ester	943779-54-2	C₃₆H₃₈N₆O₄S	650.802