CAS: 881676-90-0; 5-Phenyl-1-(Pyridin-3-Ylsulfonyl)-1H-Pyrrole-3-Carbaldehyde (Vonoprazan Impurity）

该化合物是一种有机化合物,其复杂结构特征包括一个火花环,一个甲醛功能组和附属于一个丙烯酸动物的磺酰胺组.这种化合物通常具有与热循环和芳香化合物有关的特性,例如,由于存在能够参与各种化学反应包括凝聚和核生殖器添加的甲酰胺组,因此可能具有再活动性能. 磺酰胺组增强了其在极溶剂中的溶性,并可能影响其生物活动.此外,苯组的存在有助于化合物的稳定,并可能影响其电子特性.这些化合物往往对药用化学和材料科学感兴趣,因为它们在药物开发中和作为有机合成的中间体.

英文名称5-Phenyl-1-(Pyridin-3-Ylsulfonyl)-1H-Pyrrole-3-Carbaldehyde (Vonoprazan Impurity）
中文名称沃诺拉赞杂质43
IUPAC名称5-phenyl-1-(pyridin-3-ylsulfonyl)-1H-pyrrole-3-carbaldehyde
其它别名Vonoprazan-35; 5-Phenyl-1-(Pyridin-3-Ylsulfonyl)-1H-Pyrrole-3-Carbaldehyde(Vonoprazan Impurity 43); Vonoprazan Impurity 10/5-Phenyl-1-(Pyridin-3-Ylsulfonyl)-1H-Pyrrole-3-Carbaldehyde; 5-Phenyl-1-(Pyridin-3-Ylsulfonyl)-1H-Pyrrole-3-Carbaldehyde; Voronozan Intermediate I Impurity D; 1H-Pyrrole-3-Carboxaldehyde, 5-Phenyl-1-(3-Pyridinylsulfonyl)-; 5-Phenyl-1-(Pyridin-3-Ylsulfonyl)-1H-Pyrrole-3-Carbaldehyde (Vonoprazan Impurity）
CAS编号881676-90-0
MFCD编号:MFCD11875967
FDA UNII编号:MD2W794GMJ
分子式:C16H12N2O3S分子量:312.35
产品CID: 1890938
产品分类分析化学 → 标准品 → 药典标准品和杂质标准品

相似结构搜索
InChIKey: CLFVCXPMUQJUFF-UHFFFAOYSA-N
InChI=1S/C16H12N2O3S/c19-12-13-9-16(14-5-2-1-3-6-14)18(11-13)22(20,21)15-7-4-8-17-10-15/h1-12H
计算化学: 氢键受体数4.0氢键供体数*可旋转键数4.0

MSDS等安全信息

上下游产品

pyridine-3-sulfonyl chloride hydr°Chloride 5-phenyl-1H pyrrole-3-carboxaldehyde Pyridine-3-sulfonyl chloride (5-phenyl-1H-pyrrol-3-yl)methanol

合成工艺路线路线简述

合成目标产物 5-Phenyl-1-(Pyridin-3-Ylsulfonyl)-1H-Pyrrole-3-Carbaldehyde 主要起始原料 5-Phenyl-1H-Pyrrole-3-Carbaldehyde And Pyridine-3-Sulfonyl Chloride Hydrochloride
881673-95-6 = 881676-90-0
反应条件:1.1 Reagents: N-Methylmorpholine N-Oxide,Tpap Solvents: Acetonitrile; 1.5 H,Rt2.1 Reagents: Sodium Hydride Solvents: Tetrahydrofuran; 30 Min,0 °C2.2 Reagents: 15-Crown-5 Solvents: Tetrahydrofuran; 0 °C; 15 Min,Rt
标题:Discovery Of A Novel Pyrrole Derivative 1-[5-(2-Fluorophenyl)-1-(Pyridin-3-Ylsulfonyl)-1H-Pyrrol-3-Yl]-N-Methylmethanamine Fumarate (Tak-438) As A Potassium-Competitive Acid Blocker (P-Cab)
作者:Arikawa,Yasuyoshi; Et Al
参考文献:Journal Of Medicinal Chemistry 日期:2012 卷标:55(9) 页码:4446-4456]

22984-74-3 = 881676-90-0
反应条件:1.1 Reagents: Hydrochloric Acid Solvents: Tetrahydrofuran; Cooled; 3 H,Rt2.1 Reagents: Hydrogen Catalysts: Palladium Solvents: Ethanol; 24 H,Rt3.1 Reagents: Diisobutylaluminum Hydride Solvents: Toluene,Tetrahydrofuran; 10 Min,-78 °C; 1 H,-78 °C3.2 Reagents: Water; 2 Min,-78 °C; 1 H,Rt4.1 Reagents: N-Methylmorpholine N-Oxide,Tpap Solvents: Acetonitrile; 1.5 H,Rt5.1 Reagents: Sodium Hydride Solvents: Tetrahydrofuran; 30 Min,0 °C5.2 Reagents: 15-Crown-5 Solvents: Tetrahydrofuran; 0 °C; 15 Min,Rt
标题:Discovery Of A Novel Pyrrole Derivative 1-[5-(2-Fluorophenyl)-1-(Pyridin-3-Ylsulfonyl)-1H-Pyrrol-3-Yl]-N-Methylmethanamine Fumarate (Tak-438) As A Potassium-Competitive Acid Blocker (P-Cab)
作者:Arikawa,Yasuyoshi; Et Al
参考文献:Journal Of Medicinal Chemistry 日期:2012 卷标:55(9) 页码:4446-4456]

105-56-6 + 70-11-1 = 881676-90-0
反应条件:1.1 Reagents: Potassium Carbonate; 45 Min,40 - 45 °C1.2 Solvents: Acetone; 30 Min,Rt; 18 H,Rt2.1 Reagents: Hydrochloric Acid Solvents: Tetrahydrofuran; Cooled; 3 H,Rt3.1 Reagents: Hydrogen Catalysts: Palladium Solvents: Ethanol; 24 H,Rt4.1 Reagents: Diisobutylaluminum Hydride Solvents: Toluene,Tetrahydrofuran; 10 Min,-78 °C; 1 H,-78 °C4.2 Reagents: Water; 2 Min,-78 °C; 1 H,Rt5.1 Reagents: N-Methylmorpholine N-Oxide,Tpap Solvents: Acetonitrile; 1.5 H,Rt6.1 Reagents: Sodium Hydride Solvents: Tetrahydrofuran; 30 Min,0 °C6.2 Reagents: 15-Crown-5 Solvents: Tetrahydrofuran; 0 °C; 15 Min,Rt
标题:Discovery Of A Novel Pyrrole Derivative 1-[5-(2-Fluorophenyl)-1-(Pyridin-3-Ylsulfonyl)-1H-Pyrrol-3-Yl]-N-Methylmethanamine Fumarate (Tak-438) As A Potassium-Competitive Acid Blocker (P-Cab)
作者:Arikawa,Yasuyoshi; Et Al
参考文献:Journal Of Medicinal Chemistry 日期:2012 卷标:55(9) 页码:4446-4456]

16133-25-8 + 56448-22-7 = 881676-90-0
反应条件:1.1 Reagents: Sodium Hydride Solvents: Tetrahydrofuran; 30 Min,0 °C1.2 Reagents: 15-Crown-5 Solvents: Tetrahydrofuran; 0 °C; 15 Min,Rt
标题:Discovery Of A Novel Pyrrole Derivative 1-[5-(2-Fluorophenyl)-1-(Pyridin-3-Ylsulfonyl)-1H-Pyrrol-3-Yl]-N-Methylmethanamine Fumarate (Tak-438) As A Potassium-Competitive Acid Blocker (P-Cab)
作者:Arikawa,Yasuyoshi; Et Al
参考文献:Journal Of Medicinal Chemistry 日期:2012 卷标:55(9) 页码:4446-4456]

161958-61-8 = 881676-90-0
反应条件:1.1 Reagents: Diisobutylaluminum Hydride Solvents: Toluene,Tetrahydrofuran; 10 Min,-78 °C; 1 H,-78 °C1.2 Reagents: Water; 2 Min,-78 °C; 1 H,Rt2.1 Reagents: N-Methylmorpholine N-Oxide,Tpap Solvents: Acetonitrile; 1.5 H,Rt3.1 Reagents: Sodium Hydride Solvents: Tetrahydrofuran; 30 Min,0 °C3.2 Reagents: 15-Crown-5 Solvents: Tetrahydrofuran; 0 °C; 15 Min,Rt
标题:Discovery Of A Novel Pyrrole Derivative 1-[5-(2-Fluorophenyl)-1-(Pyridin-3-Ylsulfonyl)-1H-Pyrrol-3-Yl]-N-Methylmethanamine Fumarate (Tak-438) As A Potassium-Competitive Acid Blocker (P-Cab)
作者:Arikawa,Yasuyoshi; Et Al
参考文献:Journal Of Medicinal Chemistry 日期:2012 卷标:55(9) 页码:4446-4456]

158692-57-0 = 881676-90-0
反应条件:1.1 Reagents: Hydrogen Catalysts: Palladium Solvents: Ethanol; 24 H,Rt2.1 Reagents: Diisobutylaluminum Hydride Solvents: Toluene,Tetrahydrofuran; 10 Min,-78 °C; 1 H,-78 °C2.2 Reagents: Water; 2 Min,-78 °C; 1 H,Rt3.1 Reagents: N-Methylmorpholine N-Oxide,Tpap Solvents: Acetonitrile; 1.5 H,Rt4.1 Reagents: Sodium Hydride Solvents: Tetrahydrofuran; 30 Min,0 °C4.2 Reagents: 15-Crown-5 Solvents: Tetrahydrofuran; 0 °C; 15 Min,Rt
标题:Discovery Of A Novel Pyrrole Derivative 1-[5-(2-Fluorophenyl)-1-(Pyridin-3-Ylsulfonyl)-1H-Pyrrol-3-Yl]-N-Methylmethanamine Fumarate (Tak-438) As A Potassium-Competitive Acid Blocker (P-Cab)
作者:Arikawa,Yasuyoshi; Et Al
参考文献:Journal Of Medicinal Chemistry 日期:2012 卷标:55(9) 页码:4446-4456