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N-[3-[2-(二甲基氨基)乙氧基]-4-甲氧基苯基]-2'-甲基-4'-(5-甲基-1,2,4-恶二唑-3-基)-[1,1'-联苯]-4-甲酰胺

更新时间:2025-09-23 15:45:41

N-[3-[2-(二甲基氨基)乙氧基]-4-甲氧基苯基]-2'-甲基-4'-(5-甲基-1,2,4-恶二唑-3-基)-[1,1'-联苯]-4-甲酰胺结构式
N-[3-[2-(二甲基氨基)乙氧基]-4-甲氧基苯基]-2'-甲基-4'-(5-甲基-1,2,4-恶二唑-3-基)-[1,1'-联苯]-4-甲酰胺结构式
品牌特惠专场
常用名 N-[3-[2-(二甲基氨基)乙氧基]-4-甲氧基苯基]-2'-甲基-4'-(5-甲基-1,2,4-恶二唑-3-基)-[1,1'-联苯]-4-甲酰胺 英文名 SB-216641
CAS号 170230-39-4 分子量 486.562
密度 1.2±0.1 g/cm3 沸点 N/A
分子式 C28H31ClN4O4 熔点 N/A
MSDS N/A 闪点 N/A

 名称

中文名 N-[3-[2-(二甲基氨基)乙氧基]-4-甲氧基苯基]-2'-甲基-4'-(5-甲基-1,2,4-恶二唑-3-基)-[1,1'-联苯]-4-甲酰胺
英文名 N-[3-[2-(dimethylamino)ethoxy]-4-methoxyphenyl]-4-[2-methyl-4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]benzamide
英文别名 更多

 物理化学性质

密度 1.2±0.1 g/cm3
分子式 C28H31ClN4O4
分子量 486.562
精确质量 486.226715
PSA 89.72000
LogP 4.55
InChIKey JRNUKVFYILMMLX-UHFFFAOYSA-N
SMILES COc1ccc(NC(=O)c2ccc(-c3ccc(-c4noc(C)n4)cc3C)cc2)cc1OCCN(C)C
折射率 1.602

 合成线路

~%

N-[3-[2-(二甲基氨基)乙氧基]-4-甲氧基苯基]-2'-甲基-4'-(5-甲基-1,2,4-恶二唑-3-基)-[1,1'-联苯]-4-甲酰胺结构式

N-[3-[2-(二甲基氨基)...

170230-39-4

文献:Gaster, Laramie M.; Blaney, Frank E.; Davies, Susannah; Duckworth, D. Malcolm; Ham, Peter; Jenkins, Sarah; Jennings, Andrew J.; Joiner, Graham F.; King, Frank D.; Mulholland, Keith R.; Wyman, Paul A.; Hagan, Jim J.; Hatcher, Jon; Jones, Brian J.; Middlemiss, Derek N.; Price, Gary W.; Riley, Graham; Roberts, Claire; Routledge, Carol; Selkirk, Julie; Slade, Paula D. Journal of Medicinal Chemistry, 1998 , vol. 41, # 8 p. 1218 - 1235

~%

N-[3-[2-(二甲基氨基)乙氧基]-4-甲氧基苯基]-2'-甲基-4'-(5-甲基-1,2,4-恶二唑-3-基)-[1,1'-联苯]-4-甲酰胺结构式

N-[3-[2-(二甲基氨基)...

170230-39-4

文献:Gaster, Laramie M.; Blaney, Frank E.; Davies, Susannah; Duckworth, D. Malcolm; Ham, Peter; Jenkins, Sarah; Jennings, Andrew J.; Joiner, Graham F.; King, Frank D.; Mulholland, Keith R.; Wyman, Paul A.; Hagan, Jim J.; Hatcher, Jon; Jones, Brian J.; Middlemiss, Derek N.; Price, Gary W.; Riley, Graham; Roberts, Claire; Routledge, Carol; Selkirk, Julie; Slade, Paula D. Journal of Medicinal Chemistry, 1998 , vol. 41, # 8 p. 1218 - 1235

~43%

N-[3-[2-(二甲基氨基)乙氧基]-4-甲氧基苯基]-2'-甲基-4'-(5-甲基-1,2,4-恶二唑-3-基)-[1,1'-联苯]-4-甲酰胺结构式

N-[3-[2-(二甲基氨基)...

170230-39-4

文献:Gaster, Laramie M.; Blaney, Frank E.; Davies, Susannah; Duckworth, D. Malcolm; Ham, Peter; Jenkins, Sarah; Jennings, Andrew J.; Joiner, Graham F.; King, Frank D.; Mulholland, Keith R.; Wyman, Paul A.; Hagan, Jim J.; Hatcher, Jon; Jones, Brian J.; Middlemiss, Derek N.; Price, Gary W.; Riley, Graham; Roberts, Claire; Routledge, Carol; Selkirk, Julie; Slade, Paula D. Journal of Medicinal Chemistry, 1998 , vol. 41, # 8 p. 1218 - 1235

~%

N-[3-[2-(二甲基氨基)乙氧基]-4-甲氧基苯基]-2'-甲基-4'-(5-甲基-1,2,4-恶二唑-3-基)-[1,1'-联苯]-4-甲酰胺结构式

N-[3-[2-(二甲基氨基)...

170230-39-4

文献:Gaster, Laramie M.; Blaney, Frank E.; Davies, Susannah; Duckworth, D. Malcolm; Ham, Peter; Jenkins, Sarah; Jennings, Andrew J.; Joiner, Graham F.; King, Frank D.; Mulholland, Keith R.; Wyman, Paul A.; Hagan, Jim J.; Hatcher, Jon; Jones, Brian J.; Middlemiss, Derek N.; Price, Gary W.; Riley, Graham; Roberts, Claire; Routledge, Carol; Selkirk, Julie; Slade, Paula D. Journal of Medicinal Chemistry, 1998 , vol. 41, # 8 p. 1218 - 1235

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 靶点实验

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实验名称:Primary qHTS for small molecule stabilizers of the endoplasmic reticulum resident pro...
来源:NCGC
靶标:N/A
External Id:SERCaMPGLuc-p1-antagonist
实验名称:Effect of compound on [35S]GTP-gamma-S, radioligand binding CHO cells expressing huma...
来源:ChEMBL
靶标:5-hydroxytryptamine receptor 1B
External Id:CHEMBL616462
实验名称:GTPgammaS radioligand binding assay
来源:ChEMBL
靶标:5-hydroxytryptamine receptor 1B
External Id:CHEMBL616955
实验名称:qHTS for Inhibitors of human tyrosyl-DNA phosphodiesterase 1 (TDP1): qHTS in cells in...
来源:NCGC
靶标:TDP1 protein [Homo sapiens]
External Id:TDP1100
实验名称:qHTS for Stage-Specific Inhibitors of Vaccinia Orthopoxvirus: mCherry Reporter Primar...
来源:NCGC
靶标:67.9K protein [Vaccinia virus]
External Id:Vaccinia-p2mCherry
实验名称:qHTS for Inhibitors of human tyrosyl-DNA phosphodiesterase 1 (TDP1): qHTS in cells in...
来源:NCGC
靶标:TDP1 protein [Homo sapiens]
External Id:TDP1101
实验名称:Human 5-HT1B receptor (5-Hydroxytryptamine receptors)
来源:IUPHAR-DB
靶标:5-HT1B receptor (5-Hydroxytryptamine receptors) [Homo sapiens]
External Id:2_Human
实验名称:SARS-CoV-2 3CL-Pro protease inhibition percentage at 20µM by FRET kind of response f...
来源:ChEMBL
靶标:Replicase polyprotein 1ab
External Id:CHEMBL4495582
实验名称:qHTS for Stage-Specific Inhibitors of Vaccinia Orthopoxvirus: Venus Reporter Primary ...
来源:NCGC
靶标:67.9K protein [Vaccinia virus]
External Id:Vaccinia-p2Venus
实验名称:qHTS for inhibitors of Vif-A3G interactions: Validation
来源:NCGC
靶标:DNA dC->dU-editing enzyme APOBEC-3G [Homo sapiens]
External Id:VIFG001
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 英文别名

Tocris-1242
N-{3-[2-(Dimethylamino)ethoxy]-4-methoxyphenyl}-2'-methyl-4'-(5-methyl-1,2,4-oxadiazol-3-yl)biphenyl-4-carboxamide
N-{3-[2-(Dimethylamino)ethoxy]-4-methoxyphenyl}-2'-methyl-4'-(5-methyl-1,2,4-oxadiazol-3-yl)-4-biphenylcarboxamide
SB-216641
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