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2,4-Pteridinediamine,6-[[(4-chlorophenyl)amino]methyl]

更新时间:2025-09-28 12:59:37

2,4-Pteridinediamine,6-[[(4-chlorophenyl)amino]methyl]结构式
2,4-Pteridinediamine,6-[[(4-chlorophenyl)amino]methyl]结构式
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常用名 2,4-Pteridinediamine,6-[[(4-chlorophenyl)amino]methyl] 英文名 2,4-Pteridinediamine,6-[[(4-chlorophenyl)amino]methyl]
CAS号 57963-46-9 分子量 301.73400
密度 1.562g/cm3 沸点 616.6ºC at 760mmHg
分子式 C13H12ClN7 熔点 N/A
MSDS N/A 闪点 326.7ºC

 名称

英文名 6-[(4-chloroanilino)methyl]pteridine-2,4-diamine

 物理化学性质

密度 1.562g/cm3
沸点 616.6ºC at 760mmHg
分子式 C13H12ClN7
分子量 301.73400
闪点 326.7ºC
精确质量 301.08400
PSA 115.63000
LogP 3.08510
InChIKey GQYLDCYVZGDUET-UHFFFAOYSA-N
SMILES Nc1nc(N)c2nc(CNc3ccc(Cl)cc3)cnc2n1
折射率 1.818

 合成线路

~85%

2,4-Pteridinediamine,6-[[(4-chlorophenyl)amino]methyl]结构式

2,4-Pteridinedi...

57963-46-9

文献:The United States of America as represented by the Department of Health, Education and Welfare Patent: US4077957 A1, 1978 ;

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2,4-Pteridinediamine,6-[[(4-chlorophenyl)amino]methyl]结构式

2,4-Pteridinedi...

57963-46-9

文献:Piper, James R.; Johnson, Cheryl A.; Krauth, Charles A.; Carter, Ronald L.; Hosmer, Carla A.; Queener, Sherry F.; Borotz, Susan E.; Pfefferkorn, Elmer R. Journal of Medicinal Chemistry, 1996 , vol. 39, # 6 p. 1271 - 1280

 靶点实验

查看更多实验

实验名称:Inhibitory activity against rat liver dihydrofolate reductase
来源:ChEMBL
靶标:Dihydrofolate reductase
External Id:CHEMBL665442
实验名称:Inhibition of Toxoplasma gondii cell growth
来源:ChEMBL
靶标:Toxoplasma gondii
External Id:CHEMBL813899
实验名称:Inhibitory activity against Pneumocystis carinii dihydrofolate reductase
来源:ChEMBL
靶标:Dihydrofolate reductase
External Id:CHEMBL664188
实验名称:Ratio of IC50 rat liver DHFR vs IC50 of Toxoplasma gondii DHFR
来源:ChEMBL
靶标:Dihydrofolate reductase; T. gondii vs rat
External Id:CHEMBL848792
实验名称:Ratio of IC50 rat liver DHFR vs IC50 of Pneumocystis carinii DHFR
来源:ChEMBL
靶标:Dihydrofolate reductase; P. carinii vs rat
External Id:CHEMBL848791
实验名称:Inhibitory activity against Toxoplasma gondii dihydrofolate reductase
来源:ChEMBL
靶标:Bifunctional dihydrofolate reductase-thymidylate synthase
External Id:CHEMBL665590
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