4-chloro-3-[(2-methylsulfanyl-7-oxo-7,8-dihydro-pyrido[2,3-d]pyrimidine-6-carbonyl)-amino]-benzoic acid | 1386980-86-4

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-chloro-3-[(2-methylsulfanyl-7-oxo-7,8-dihydro-pyrido[2,3-d]pyrimidine-6-carbonyl)-amino]-benzoic acid

英文别名

4-chloro-3-[(2-methylsulfanyl-7-oxo-8H-pyrido[2,3-d]pyrimidine-6-carbonyl)amino]benzoic acid

4-chloro-3-[(2-methylsulfanyl-7-oxo-7,8-dihydro-pyrido[2,3-d]pyrimidine-6-carbonyl)-amino]-benzoic acid化学式

CAS

1386980-86-4

化学式

C₁₆H₁₁ClN₄O₄S

mdl

——

分子量

390.807

InChiKey

NVLZGBVNZHFROI-UHFFFAOYSA-N

BEILSTEIN

——

EINECS

——

物化性质

密度：

1.65±0.1 g/cm3(Predicted)

计算性质

辛醇/水分配系数(LogP)：

2
重原子数：

26
可旋转键数：

4
环数：

3.0
sp3杂化的碳原子比例：

0.06
拓扑面积：

147
氢给体数：

3
氢受体数：

7

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-chloro-3-[(2-methylsulfanyl-7-oxo-7,8-dihydro-pyrido[2,3-d]pyrimidine-6-carbonyl)-amino]-benzoic acid methyl ester	1386979-17-4	C₁₇H₁₃ClN₄O₄S	404.834
——	2-methylsulfanyl-7-oxo-7,8-dihydro-pyrido[2,3-d]pyrimidine-6-carboxylic acid methyl ester	1386980-76-2	C₁₀H₉N₃O₃S	251.266
——	2-methylsulfanyl-7-oxo-7,8-dihydro-pyrido[2,3-d]pyrimidine-6-carboxylic acid	1386980-77-3	C₉H₇N₃O₃S	237.239

下游产品

中文名称	英文名称	CAS号	化学式	分子量
——	2-methylsulfanyl-7-oxo-7,8-dihydro-pyrido[2,3-d]pyrimidine-6-carboxylic acid [2-chloro-5-(3-chloro-benzylcarbamoyl)-phenyl]-amide	1386979-71-0	C₂₃H₁₇Cl₂N₅O₃S	514.392
——	2-methanesulfonyl-7-oxo-7,8-dihydro-pyrido[2,3-d]pyrimidine-6-carboxylic acid [2-chloro-5-(3-chloro-benzylcarbamoyl)-phenyl]-amide	1386980-87-5	C₂₃H₁₇Cl₂N₅O₅S	546.39
——	N-(5-(2-amino-1-phenylethylcarbamoyl)-2-chlorophenyl)-2-(methylthio)-7-oxo-7,8-dihydropyrido[2,3-d]pyrimidine-6-carboxamide	1386979-97-0	C₂₄H₂₁ClN₆O₃S	508.988
——	N-(2-chloro-5-(2-hydroxy-1-phenylethylcarbamoyl)phenyl)-2-(methylthio)-7-oxo-7,8-dihydropyrido[2,3-d]pyrimidine-6-carboxamide	1386980-19-3	C₂₄H₂₀ClN₅O₄S	509.973
——	N-(2-chloro-5-(3-hydroxy-1-phenylpropylcarbamoyl)phenyl)-2-(methylthio)-7-oxo-7,8-dihydropyrido[2,3-d]pyrimidine-6-carboxamide	1386980-20-6	C₂₅H₂₂ClN₅O₄S	524.0
——	N-(2-chloro-5-(2-hydroxy-1-phenylethylcarbamoyl)phenyl)-2-(methylsulfonyl)-7-oxo-7,8-dihydropyrido[2,3-d]pyrimidine-6-carboxamide	1386981-42-5	C₂₄H₂₀ClN₅O₆S	541.972
——	(2-{4-chloro-3-[(2-methylsulfanyl-7-oxo-7,8-dihydro-pyrido[2,3-d]pyrimidine-6-carbonyl)-amino]-benzoylamino}-2-phenyl-ethyl)-carbamic acid tert-butyl ester	1386980-93-3	C₂₉H₂₉ClN₆O₅S	609.105
——	tert-butyl 3-(4-chloro-3-(2-(methylthio)-7-oxo-7,8-dihydro-pyrido[2,3-d]pyrimidine-6-carboxamido)benzamido)-3-phenylpropylcarbamate	1386980-94-4	C₃₀H₃₁ClN₆O₅S	623.132
——	N-(2-Chloro-5-(3-hydroxy-1-phenylpropylcarbamoyl)phenyl)-2-(methylsulfonyl)-7-oxo-7,8-dihydropyrido[2,3-d]pyrimidine-6-carboxamide	1386981-44-7	C₂₅H₂₂ClN₅O₆S	555.999
——	N-(2-chloro-5-(3-chlorobenzylcarbamoyl)phenyl)-2-(dimethylamino)-7-oxo-7,8-dihydropyrido[2,3-d]pyrimidine-6-carboxamide	1386980-29-5	C₂₄H₂₀Cl₂N₆O₃	511.367
——	tert-butyl 2-(4-chloro-3-(2-(methylsulfonyl)-7-oxo-7,8-dihydropyrido[2,3-d]pyrimidine-6-carboxamido)benzamido)-2-phenylethylcarbamate	1386981-17-4	C₂₉H₂₉ClN₆O₇S	641.104
——	tert-butyl 3-(4-chloro-3-(2-(methylsulfonyl)-7-oxo-7,8-dihydropyrido[2,3-d]pyrimidine-6-carboxamido)benzamido)-3-phenylpropylcarbamate	1386981-13-0	C₃₀H₃₁ClN₆O₇S	655.131
——	N-(2-chloro-5-(3-chlorobenzylcarbamoyl)phenyl)-2-(2-hydroxyethylamino)-7-oxo-7,8-dihydropyrido[2,3-d]pyrimidine-6-carboxamide	1386979-95-8	C₂₄H₂₀Cl₂N₆O₄	527.367
——	N-(2-chloro-5-(3-chlorobenzylcarbamoyl)phenyl)-2-(2,3-dihydroxypropylamino)-7-oxo-7,8-dihydropyrido[2,3-d]pyrimidine-6-carboxamide	1386980-09-1	C₂₅H₂₂Cl₂N₆O₅	557.393
——	2-(2-morpholin-4-yl-ethoxy)-7-oxo-7,8-dihydro-pyrido[2,3-d]pyrimidine-6-carboxylic acid [2-chloro-5-(3-chloro-benzylcarbamoyl)phenyl]amide	1386979-77-6	C₂₈H₂₆Cl₂N₆O₅	597.458
——	2-(3-morpholin-4-yl-propoxy)-7-oxo-7,8-dihydro-pyrido[2,3-d]pyrimidine-6-carboxylic acid [2-chloro-5-(3-chloro-benzylcarbamoyl)-phenyl]-amide	1386979-76-5	C₂₉H₂₈Cl₂N₆O₅	611.485
——	2-[2-(4-Methyl-piperazin-1-yl)-ethylamino]-7-oxo-7,8-dihydro-pyrido[2,3-d]pyrimidine-6-carboxylic acid [2-chloro-5-(3-chloro-benzylcarbamoyl)-phenyl]amide	1386979-91-4	C₂₉H₃₀Cl₂N₈O₃	609.515
——	N-(2-chloro-5-(3-chlorobenzylcarbamoyl)phenyl)-2-(2-hydroxy-2-methylpropylamino)-7-oxo-7,8-dihydropyrido[2,3-d]pyrimidine-6-carboxamide	1386980-10-4	C₂₆H₂₄Cl₂N₆O₄	555.42
——	2-[2-(4-methyl-piperazin-1-yl)-ethoxy]-7-oxo-7,8-dihydro-pyrido[2,3-d]pyrimidine-6-carboxylic acid [2-chloro-5-(3-chloro-benzylcarbamoyl)-phenyl]amide	1386979-82-3	C₂₉H₂₉Cl₂N₇O₄	610.5
——	N-(2-chloro-5-(3-chlorobenzylcarbamoyl)phenyl)-2-(2-(1-methylpiperidin-4-yl)ethylamino)-7-oxo-7,8-dihydropyrido[2,3-d]pyrimidine-6-carboxamide	1386979-96-9	C₃₀H₃₁Cl₂N₇O₃	608.527
——	7-Oxo-2-(2-pyrrolidin-1-yl-ethylamino)-7,8-dihydro-pyrido[2,3-d]pyrimidine-6-carboxylic acid [2-chloro-5-(3-chloro-benzylcarbamoyl)-phenyl]amide	1386979-84-5	C₂₈H₂₇Cl₂N₇O₃	580.473
——	2-[3-(4-methyl-piperazin-1-yl)-propylamino]-7-oxo-7,8-dihydro-pyrido[2,3-d]pyrimidine-6-carboxylic acid [2-chloro-5-(3-chloro-benzylcarbamoyl)-phenyl]-amide	1386979-93-6	C₃₀H₃₂Cl₂N₈O₃	623.542
——	2-morpholin-4-yl-7-oxo-7,8-dihydro-pyrido[2,3-d]pyrimidine-6-carboxylic acid [2-chloro-5-(3-chloro-benzylcarbamoyl)-phenyl]-amide	1386979-81-2	C₂₆H₂₂Cl₂N₆O₄	553.404
——	2-(4-Amino-piperidin-1-yl)-7-oxo-7,8-dihydro-pyrido[2,3-d]pyrimidine-6-carboxylic acid [2-chloro-5-(3-chloro-benzylcarbamoyl)-phenyl]-amide	1386979-90-3	C₂₇H₂₅Cl₂N₇O₃	566.447
——	2-(3-morpholin-4-yl-propylamino)-7-oxo-7,8-dihydro-pyrido[2,3-d]pyrimidine-6-carboxylic acid [2-chloro-5-(3-chloro-benzylcarbamoyl)phenyl]amide	1386979-85-6	C₂₉H₂₉Cl₂N₇O₄	610.5
——	2-(4-methyl-piperazin-1-yl)-7-oxo-7,8-dihydro-pyrido[2,3-d]pyrimidine-6-carboxylic acid [2-chloro-5-(3-chloro-benzylcarbamoyl)-phenyl]-amide	1386979-72-1	C₂₇H₂₅Cl₂N₇O₃	566.447
——	2-(4-hydroxy-piperidin-1-yl)-7-oxo-7,8-dihydro-pyrido[2,3-d]pyrimidine-6-carboxylic acid [2-chloro-5-(3-chloro-benzylcarbamoyl)-phenyl]-amide	1386979-86-7	C₂₇H₂₄Cl₂N₆O₄	567.431
——	2-methoxy-7-oxo-7,8-dihydro-pyrido[2,3-d]pyrimidine-6-carboxylic acid [5-(3-amino-1-phenyl-propylcarbamoyl)-2-chloro-phenyl]-amide	1386979-73-2	C₂₅H₂₃ClN₆O₄	506.948
——	2-(4-Acetylpiperazin-1-yl)-N-(2-chloro-5-(3-chlorobenzylcarbamoyl)phenyl)-7-oxo-7,8-dihydropyrido[2,3-d]pyrimidine-6-carboxamide	1386979-99-2	C₂₈H₂₅Cl₂N₇O₄	594.457
——	N-(5-(2-amino-1-phenylethylcarbamoyl)-2-chlorophenyl)-2-(3-(4-methylpiperazin-1-yl)propylamino)-7-oxo-7,8-dihydropyrido[2,3-d]pyrimidine-6-carboxamide	1386980-06-8	C₃₁H₃₆ClN₉O₃	618.138