881179-02-8 (Lith-O-Asp,Lith-O-Asp)

快速询单

结构式：

Lith-O-AspMOL文件

CAS号：

881179-02-8

中文名称：

Lith-O-Asp

英文名称：

Lith-O-Asp

分子式：

C₂₈H₄₅NO₆

分子量：

491.660009145737

简介：

Lith-O-Asp 是唾液酸转移酶 (ST) 的抑制剂，其 IC50 值在 12-37 μM 之间。

Lith-O-Asp(881179-02-8)名称与标识符

名称

英文别名：

Lith-O-Asp;(3α,5β)-3-[(2S)-2-Amino-3-carboxy-1-oxopropoxy]cholan-24-oic acid (ACI);

标识符

InChIKey：

NUUCRVJEHQBAKP-CNZWOIIDSA-N

Inchi：

1S/C28H45NO6/c1-16(4-9-24(30)31)20-7-8-21-19-6-5-17-14-18(35-26(34)23(29)15-25(32)33)10-12-27(17,2)22(19)11-13-28(20,21)3/h16-23H,4-15,29H2,1-3H3,(H,30,31)(H,32,33)/t16-,17-,18-,19+,20-,21+,22+,23+,27+,28-/m1/s1

SMILES：

C[C@@]12[C@@H]([C@H](C)CCC(=O)O)CC[C@H]1[C@@H]1CC[C@@H]3C[C@@H](CC[C@]3(C)[C@H]1CC2)OC(=O)[C@@H](N)CC(=O)O

Lith-O-Asp(881179-02-8)安全信息

储存条件： Powder -20°C 3 years 4°C 2 years In solvent -80°C 6 months -20°C 1 month

Lith-O-Asp(881179-02-8)推荐厂家更多厂家(6)

公司名称	手机号/电话	联系人	QQ	询单
上海楷森生物科技有限公司	17558870519 175-58870519	赵经理	3003926540	询单
上海楷森生物科技有限公司	17558870519 175-58870519	赵经理	3003926540	询单
上海瀚思化工有限公司	18939883912 021-34536277	顾经理	3003949364	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

Lith-O-Asp(881179-02-8)合成路线

合成路线：1 步

1202710-78-8

_61%

881179-02-8

反应条件：

1.1 Reagents: Trifluoroacetic acid Solvents: Water ; overnight, rt

参考文献：

Overcoming the Drug Resistance in Breast Cancer Cells by Rational Design of Efficient Glutathione S-Transferase Inhibitors

Li, Wen-Shan; et al, Organic Letters, 2010, 12(1), 20-23

合成路线：1 步

169965-90-6

71989-14-5

_37%

881179-02-8

反应条件：

1.1 Reagents: Dicyclohexylcarbodiimide Catalysts: 4-(Dimethylamino)pyridine Solvents: Dichloromethane ; 30 min, rt
1.2 Reagents: 1,8-Diazabicyclo[5.4.0]undec-7-ene Solvents: Dichloromethane ; rt; 30 min, rt
1.3 Reagents: Trifluoroacetic acid Solvents: Water ; 30 min, rt

参考文献：

Lithocholic acid analogues, new and potent α-2,3-sialyltransferase inhibitors

Chang, Kai-Hsuan; et al, Chemical Communications (Cambridge, 2006, (6), 629-631

合成路线：3 步

169965-90-6

71989-14-5

881179-02-8

反应条件：

1.1 Reagents: Dicyclohexylcarbodiimide Catalysts: 4-(Dimethylamino)pyridine Solvents: Dichloromethane ; 10 min, rt
1.2 Solvents: Dichloromethane ; rt; 3 - 4 h, rt
2.1 Reagents: 1,8-Diazabicyclo[5.4.0]undec-7-ene Solvents: Dichloromethane ; 1 - 2 h, rt
3.1 Reagents: Trifluoroacetic acid Solvents: Water ; overnight, rt

参考文献：

Overcoming the Drug Resistance in Breast Cancer Cells by Rational Design of Efficient Glutathione S-Transferase Inhibitors

Li, Wen-Shan; et al, Organic Letters, 2010, 12(1), 20-23

合成路线：2 步

1202710-63-1

881179-02-8

反应条件：

1.1 Reagents: 1,8-Diazabicyclo[5.4.0]undec-7-ene Solvents: Dichloromethane ; 1 - 2 h, rt
2.1 Reagents: Trifluoroacetic acid Solvents: Water ; overnight, rt

参考文献：

Overcoming the Drug Resistance in Breast Cancer Cells by Rational Design of Efficient Glutathione S-Transferase Inhibitors

Li, Wen-Shan; et al, Organic Letters, 2010, 12(1), 20-23

合成路线：2 步

172615-57-5

881179-02-8

反应条件：

1.1 Reagents: Sodium methoxide Solvents: Methanol ; 2 h, rt
2.1 Reagents: Dicyclohexylcarbodiimide Catalysts: 4-(Dimethylamino)pyridine Solvents: Dichloromethane ; 30 min, rt
2.2 Reagents: 1,8-Diazabicyclo[5.4.0]undec-7-ene Solvents: Dichloromethane ; rt; 30 min, rt
2.3 Reagents: Trifluoroacetic acid Solvents: Water ; 30 min, rt

参考文献：

Lithocholic acid analogues, new and potent α-2,3-sialyltransferase inhibitors

Chang, Kai-Hsuan; et al, Chemical Communications (Cambridge, 2006, (6), 629-631

合成路线：3 步

反应条件：

1.1 Solvents: Pyridine ; 5 h, rt
1.2 Reagents: Dicyclohexylcarbodiimide Catalysts: 4-(Dimethylamino)pyridine Solvents: Dichloromethane ; 30 min, rt
2.1 Reagents: Sodium methoxide Solvents: Methanol ; 2 h, rt
3.1 Reagents: Dicyclohexylcarbodiimide Catalysts: 4-(Dimethylamino)pyridine Solvents: Dichloromethane ; 30 min, rt
3.2 Reagents: 1,8-Diazabicyclo[5.4.0]undec-7-ene Solvents: Dichloromethane ; rt; 30 min, rt
3.3 Reagents: Trifluoroacetic acid Solvents: Water ; 30 min, rt

参考文献：

Lithocholic acid analogues, new and potent α-2,3-sialyltransferase inhibitors

Chang, Kai-Hsuan; et al, Chemical Communications (Cambridge, 2006, (6), 629-631