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4-[2-[2-环戊基-5-[(5,7-二甲基[1,2,4]噻唑并[1,5-a]嘧啶)甲基]-3,6-二氢-4-羟基-6-氧代-2H-吡喃]乙基]-2-氟-α,α-二甲基苯乙腈

更新时间:2025-09-15 14:40:45

4-[2-[2-环戊基-5-[(5,7-二甲基[1,2,4]噻唑并[1,5-a]嘧啶)甲基]-3,6-二氢-4-羟基-6-氧代-2H-吡喃]乙基]-2-氟-α,α-二甲基苯乙腈结构式
4-[2-[2-环戊基-5-[(5,7-二甲基[1,2,4]噻唑并[1,5-a]嘧啶)甲基]-3,6-二氢-4-羟基-6-氧代-2H-吡喃]乙基]-2-氟-α,α-二甲基苯乙腈结构式
委托求购
常用名 4-[2-[2-环戊基-5-[(5,7-二甲基[1,2,4]噻唑并[1,5-a]嘧啶)甲基]-3,6-二氢-4-羟基-6-氧代-2H-吡喃]乙基]-2-氟-α,α-二甲基苯乙腈 英文名 2-[4-(2-{2-cyclopentyl-5-[(5,7-dimethyl[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)methyl]-4-hydroxy-6-oxo-3,6-dihydro-2H-pyran-2-yl}ethyl)-2-fluorophenyl]-2-methylpropanenitrile
CAS号 749929-33-7 分子量 531.62100
密度 N/A 沸点 N/A
分子式 C30H34FN5O3 熔点 N/A
MSDS N/A 闪点 N/A

 名称

中文名 4-[2-[2-环戊基-5-[(5,7-二甲基[1,2,4]噻唑并[1,5-a]嘧啶)甲基]-3,6-二氢-4-羟基-6-氧代-2H-吡喃]乙基]-2-氟-α,α-二甲基苯乙腈
英文名 2-[4-(2-{2-cyclopentyl-5-[(5,7-dimethyl[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)methyl]-4-hydroxy-6-oxo-3,6-dihydro-2H-pyran-2-yl}ethyl)-2-fluorophenyl]-2-methylpropanenitrile
英文别名 更多

 物理化学性质

分子式 C30H34FN5O3
分子量 531.62100
精确质量 531.26500
PSA 113.40000
LogP 5.54468
InChIKey XPRDGKCNHYYXEJ-UHFFFAOYSA-N
SMILES Cc1cc(C)n2nc(CC3=C(O)CC(CCc4ccc(C(C)(C)C#N)c(F)c4)(C4CCCC4)OC3=O)nc2n1

 合成线路

~82%

4-[2-[2-环戊基-5-[(5,7-二甲基[1,2,4]噻唑并[1,5-a]嘧啶)甲基]-3,6-二氢-4-羟基-6-氧代-2H-吡喃]乙基]-2-氟-α,α-二甲基苯乙腈结构式

4-[2-[2-环戊基-5-[...

749929-33-7

文献:Li, Hui; Linton, Angelica; Tatlock, John; Gonzalez, Javier; Borchardt, Allen; Abreo, Mel; Jewell, Tanya; Patel, Leena; Drowns, Matthew; Ludlum, Sarah; Goble, Mike; Yang, Michele; Blazel, Julie; Rahavendran, Ravi; Skor, Heather; Shi, Stephanie; Lewis, Cristina; Fuhrman, Sheila Journal of Medicinal Chemistry, 2007 , vol. 50, # 17 p. 3969 - 3972

~%

4-[2-[2-环戊基-5-[(5,7-二甲基[1,2,4]噻唑并[1,5-a]嘧啶)甲基]-3,6-二氢-4-羟基-6-氧代-2H-吡喃]乙基]-2-氟-α,α-二甲基苯乙腈结构式

4-[2-[2-环戊基-5-[...

749929-33-7

文献:Li, Hui; Linton, Angelica; Tatlock, John; Gonzalez, Javier; Borchardt, Allen; Abreo, Mel; Jewell, Tanya; Patel, Leena; Drowns, Matthew; Ludlum, Sarah; Goble, Mike; Yang, Michele; Blazel, Julie; Rahavendran, Ravi; Skor, Heather; Shi, Stephanie; Lewis, Cristina; Fuhrman, Sheila Journal of Medicinal Chemistry, 2007 , vol. 50, # 17 p. 3969 - 3972

~%

4-[2-[2-环戊基-5-[(5,7-二甲基[1,2,4]噻唑并[1,5-a]嘧啶)甲基]-3,6-二氢-4-羟基-6-氧代-2H-吡喃]乙基]-2-氟-α,α-二甲基苯乙腈结构式

4-[2-[2-环戊基-5-[...

749929-33-7

文献:Li, Hui; Linton, Angelica; Tatlock, John; Gonzalez, Javier; Borchardt, Allen; Abreo, Mel; Jewell, Tanya; Patel, Leena; Drowns, Matthew; Ludlum, Sarah; Goble, Mike; Yang, Michele; Blazel, Julie; Rahavendran, Ravi; Skor, Heather; Shi, Stephanie; Lewis, Cristina; Fuhrman, Sheila Journal of Medicinal Chemistry, 2007 , vol. 50, # 17 p. 3969 - 3972

~%

4-[2-[2-环戊基-5-[(5,7-二甲基[1,2,4]噻唑并[1,5-a]嘧啶)甲基]-3,6-二氢-4-羟基-6-氧代-2H-吡喃]乙基]-2-氟-α,α-二甲基苯乙腈结构式

4-[2-[2-环戊基-5-[...

749929-33-7

文献:Li, Hui; Linton, Angelica; Tatlock, John; Gonzalez, Javier; Borchardt, Allen; Abreo, Mel; Jewell, Tanya; Patel, Leena; Drowns, Matthew; Ludlum, Sarah; Goble, Mike; Yang, Michele; Blazel, Julie; Rahavendran, Ravi; Skor, Heather; Shi, Stephanie; Lewis, Cristina; Fuhrman, Sheila Journal of Medicinal Chemistry, 2007 , vol. 50, # 17 p. 3969 - 3972

~%

4-[2-[2-环戊基-5-[(5,7-二甲基[1,2,4]噻唑并[1,5-a]嘧啶)甲基]-3,6-二氢-4-羟基-6-氧代-2H-吡喃]乙基]-2-氟-α,α-二甲基苯乙腈结构式

4-[2-[2-环戊基-5-[...

749929-33-7

文献:Li, Hui; Linton, Angelica; Tatlock, John; Gonzalez, Javier; Borchardt, Allen; Abreo, Mel; Jewell, Tanya; Patel, Leena; Drowns, Matthew; Ludlum, Sarah; Goble, Mike; Yang, Michele; Blazel, Julie; Rahavendran, Ravi; Skor, Heather; Shi, Stephanie; Lewis, Cristina; Fuhrman, Sheila Journal of Medicinal Chemistry, 2007 , vol. 50, # 17 p. 3969 - 3972

~%

4-[2-[2-环戊基-5-[(5,7-二甲基[1,2,4]噻唑并[1,5-a]嘧啶)甲基]-3,6-二氢-4-羟基-6-氧代-2H-吡喃]乙基]-2-氟-α,α-二甲基苯乙腈结构式

4-[2-[2-环戊基-5-[...

749929-33-7

文献:Li, Hui; Linton, Angelica; Tatlock, John; Gonzalez, Javier; Borchardt, Allen; Abreo, Mel; Jewell, Tanya; Patel, Leena; Drowns, Matthew; Ludlum, Sarah; Goble, Mike; Yang, Michele; Blazel, Julie; Rahavendran, Ravi; Skor, Heather; Shi, Stephanie; Lewis, Cristina; Fuhrman, Sheila Journal of Medicinal Chemistry, 2007 , vol. 50, # 17 p. 3969 - 3972

 靶点实验

查看更多实验

实验名称:Inhibition of Hepatitis C virus NS5B polymerase
来源:ChEMBL
靶标:RNA-directed RNA polymerase
External Id:CHEMBL5348065
实验名称:Bioavailability in rat at 10 mg/kg, po
来源:ChEMBL
靶标:Rattus norvegicus
External Id:CHEMBL894277
实验名称:Total plasma clearance in rat at 25 mg/kg, po or 5 mg/kg, iv
来源:ChEMBL
靶标:Rattus norvegicus
External Id:CHEMBL894271
实验名称:Volume of distribution in rat at 25 mg/kg, po or 5 mg/kg, iv
来源:ChEMBL
靶标:Rattus norvegicus
External Id:CHEMBL894272
实验名称:Antiviral activity against HCV assessed as reduction in viral growth
来源:ChEMBL
靶标:Hepacivirus hominis
External Id:CHEMBL5348071
实验名称:Half life in rat at 25 mg/kg, po or 5 mg/kg, iv
来源:ChEMBL
靶标:Rattus norvegicus
External Id:CHEMBL894273
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 英文别名

2-(4-(2-((1,1'-Biphenyl)-4-yl)vinyl)phenyl)-5,7-dimethylbenzoxazole
2-[4-(2-biphenyl-4-yl-vinyl)-phenyl]-5,7-dimethyl-benzooxazole
Benzoxazole,2-(4-(2-((1,1'-biphenyl)-4-yl)ethenyl)phenyl)-5,7-dimethyl
4-phenyl-4'-(5",7"-di-methylbenzoxazol-2"-yl)-stilbene
2-(4-{2-[2-cyclopentyl-5-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-ylmethyl)-4-hydroxy-6-oxo-3,6-dihydro-2H-pyran-2-yl]-ethyl}-2-fluoro-phenyl)-2-methyl-propionitrile
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