864167-45-3 (膦酸琥珀酰三钠盐,Succinyl phosphonate trisodium salt)

快速询单

结构式：

膦酸琥珀酰三钠盐MOL文件

CAS号：

864167-45-3

中文名称：

膦酸琥珀酰三钠盐

英文名称：

Succinyl phosphonate trisodium salt

分子式：

C₄H₄Na₃O₆P

分子量：

248.014035224915

简介：

Succinyl phosphonate trisodium salt 是 α-酮戊二酸脱氢酶 (KGDHC ) 抑制剂，可有效抑制肌肉，细菌，脑和人成纤维细胞中的 KGDHC。Succinyl phosphonate trisodium salt 抑制 2-氧代戊二酸脱氢酶 (OGDH)，以细胞特异性代谢依赖性方式损害癌细胞的活力。Succinyl phosphonate trisodium salt 抑制谷氨酸诱导的谷氨酸刺激的海马神经元中的 ROS 产生。

膦酸琥珀酰三钠盐(864167-45-3)名称与标识符

名称

中文别名：

琥珀酰膦酸盐;

英文别名：

Succinyl phosphonate trisodium salt;Succinyl phosphonate (trisodium salt);trisodium;4-oxo-4-phosphonatobutanoate;Butanoic acid, 4-oxo-4-phosphono-, trisodium salt (9CI);CS-0085753;HY-12688A;864167-45-3;sodium 4-(disodiooxyphosphoryl)-4-oxobutanoate;

标识符

InChIKey：

QHBOYEUINLIJDF-UHFFFAOYSA-K

Inchi：

1S/C4H7O6P.3Na/c5-3(6)1-2-4(7)11(8,9)10;;;/h1-2H2,(H,5,6)(H2,8,9,10);;;/q;3*+1/p-3

SMILES：

P(C(CCC(=O)[O-])=O)(=O)([O-])[O-].[Na+].[Na+].[Na+]

膦酸琥珀酰三钠盐(864167-45-3)物化性质

计算特性

精确分子量 : 247.94385769g/mol
氢键供体数量 : 0
氢键受体数量 : 6
可旋转化学键数量 : 4
同位素质量 : 247.94385769g/mol
重原子数量 : 14
复杂度 : 225
同位素原子数量 : 0
确定原子立构中心数量 : 0
不确定原子立构中心数量 : 0
确定化学键立构中心数量 : 0
不确定化学键立构中心数量 : 0
共价键单元数量 : 4
拓扑分子极性表面积 : 120

膦酸琥珀酰三钠盐(864167-45-3)推荐厂家更多厂家(8)

公司名称	手机号/电话	联系人	QQ	询单
上海源叶生物科技有限公司	15026964105 15026964105	汤思磊	2881489226	询单
上海吉至生化科技有限公司	18117592386 021-57481218	吉至试剂	3007522982	询单
上海瀚思化工有限公司	18939883912 021-34536277	顾经理	3003949364	询单
上海创赛科技有限公司	15021221957 021-59553580	凌度	2852351983	询单
北京索莱宝科技有限公司	17812059581 010-50973134	龚思雨	2748554845	询单
MedChemExpress（MCE 中国）	13611715263 021-58955995	MCE生命科学试剂	2881321772	询单
MedChemExpress（MCE 中国）	13611715263 021-58955995	MCE生命科学试剂	2881321772	询单
天津普西唐生物医药科技有限公司	15801484223 15801484223	唐召锋	3003463702	询单

膦酸琥珀酰三钠盐(864167-45-3)合成路线

合成路线：1 步

1220448-72-5

_85%

864167-45-3

反应条件：

1.1 Reagents: Hydrogen Catalysts: Palladium Solvents: Formic acid , Ethyl acetate ; overnight, rt
1.2 Reagents: Dowex 50W Solvents: Water ; rt

参考文献：

Succinylphosphonate Esters Are Competitive Inhibitors of MenD That Show Active-Site Discrimination between Homologous α-Ketoglutarate-Decarboxylating Enzymes

Fang, Maohai; et al, Biochemistry, 2010, 49(12), 2672-2679

合成路线：1 步

864167-49-7

864167-45-3

反应条件：

1.1 Reagents: Sodium hydroxide Solvents: Water ; overnight, 50 °C

参考文献：

Phosphonate Analogues of α-Ketoglutarate Inhibit the Activity of the α-Ketoglutarate Dehydrogenase Complex Isolated from Brain and in Cultured Cells

Bunik, Victoria I.; et al, Biochemistry, 2005, 44(31), 10552-10561

合成路线：2 步

1220448-73-6

864167-45-3

反应条件：

1.1 Reagents: Lithium bromide Solvents: Acetonitrile ; 72 h, rt → reflux
2.1 Reagents: Hydrogen Catalysts: Palladium Solvents: Formic acid , Ethyl acetate ; overnight, rt
2.2 Reagents: Dowex 50W Solvents: Water ; rt

参考文献：

Succinylphosphonate Esters Are Competitive Inhibitors of MenD That Show Active-Site Discrimination between Homologous α-Ketoglutarate-Decarboxylating Enzymes

Fang, Maohai; et al, Biochemistry, 2010, 49(12), 2672-2679

合成路线：2 步

16540-23-1

864167-45-3

反应条件：

1.1 Reagents: Bromotrimethylsilane ; overnight, rt
2.1 Reagents: Sodium hydroxide Solvents: Water ; overnight, 50 °C

参考文献：

Phosphonate Analogues of α-Ketoglutarate Inhibit the Activity of the α-Ketoglutarate Dehydrogenase Complex Isolated from Brain and in Cultured Cells

Bunik, Victoria I.; et al, Biochemistry, 2005, 44(31), 10552-10561

合成路线：3 步

103-40-2

121-45-9

864167-45-3

反应条件：

1.1 Reagents: Oxalyl chloride Catalysts: Dimethylformamide Solvents: Dichloromethane ; 0 °C; 1 h, rt; 30 min, rt
1.2 0 °C; 2 h, rt
2.1 Reagents: Lithium bromide Solvents: Acetonitrile ; 72 h, rt → reflux
3.1 Reagents: Hydrogen Catalysts: Palladium Solvents: Formic acid , Ethyl acetate ; overnight, rt
3.2 Reagents: Dowex 50W Solvents: Water ; rt

参考文献：

Succinylphosphonate Esters Are Competitive Inhibitors of MenD That Show Active-Site Discrimination between Homologous α-Ketoglutarate-Decarboxylating Enzymes

Fang, Maohai; et al, Biochemistry, 2010, 49(12), 2672-2679

合成路线：3 步

14794-31-1

122-52-1

864167-45-3

反应条件：

1.1 8 h, rt
2.1 Reagents: Bromotrimethylsilane ; overnight, rt
3.1 Reagents: Sodium hydroxide Solvents: Water ; overnight, 50 °C

参考文献：

Phosphonate Analogues of α-Ketoglutarate Inhibit the Activity of the α-Ketoglutarate Dehydrogenase Complex Isolated from Brain and in Cultured Cells

Bunik, Victoria I.; et al, Biochemistry, 2005, 44(31), 10552-10561

合成路线：4 步

108-30-5

100-51-6

864167-45-3

反应条件：

1.1 Catalysts: 4-(Dimethylamino)pyridine Solvents: Tetrahydrofuran ; 12 h, reflux
2.1 Reagents: Oxalyl chloride Catalysts: Dimethylformamide Solvents: Dichloromethane ; 0 °C; 1 h, rt; 30 min, rt
2.2 0 °C; 2 h, rt
3.1 Reagents: Lithium bromide Solvents: Acetonitrile ; 72 h, rt → reflux
4.1 Reagents: Hydrogen Catalysts: Palladium Solvents: Formic acid , Ethyl acetate ; overnight, rt
4.2 Reagents: Dowex 50W Solvents: Water ; rt

参考文献：

Succinylphosphonate Esters Are Competitive Inhibitors of MenD That Show Active-Site Discrimination between Homologous α-Ketoglutarate-Decarboxylating Enzymes

Fang, Maohai; et al, Biochemistry, 2010, 49(12), 2672-2679