Name: Eritoran Tetrasodium
Rating: 5 (10 reviews)

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sdf 文件

结构编辑

类似物检索

HIT ID:HIT213841538
Cas No:185954-98-7
常用名:Eritoran Tetrasodium
别名:E-5564, E5564, E 5564, B-1287, B1287, B 1287
别名:E-5564, E5564, E 5564, B-1287, B1287, B 1287
IUPAC:tetrasodium (2R,3R,4R,5S,6R)-4-(decyloxy)-5-hydroxy-6-({[(2R,3R,4R,5S,6R)-4-{[(3R)-3-methoxydecyl]oxy}-6-(methoxymethyl)-3-[(11Z)-octadec-11-enamido]-5-(phosphonatooxy)oxan-2-yl]oxy}methyl)-3-(3-oxotetradecanamido)oxan-2-yl phosphate
IUPAC:tetrasodium (2R,3R,4R,5S,6R)-4-(decyloxy)-5-hydroxy-6-({[(2R,3R,4R,5S,6R)-4-{[(3R)-3-methoxydecyl]oxy}-6-(methoxymethyl)-3-[(11Z)-octadec-11-enamido]-5-(phosphonatooxy)oxan-2-yl]oxy}methyl)-3-(3-oxotetradecanamido)oxan-2-yl phosphate
InChI key:FEMINZOAAWPBPP-RHMAUSBNSA-J

分子式:C66H122N2Na4O19P2
分子量:1401.604
氢键供体数 (HBD):
氢键受体数 (HBA):
LogP:
SMILES:[Na+].[Na+].[Na+].[Na+].CCCCCCCCCCCC(=O)CC(=O)N[C@H]1[C@@H](OP([O-])([O-])=O)O[C@H](CO[C@@H]2O[C@H](COC)[C@@H](OP([O-])([O-])=O)[C@H](OCC[C@@H](CCCCCCC)OC)[C@H]2NC(=O)CCCCCCCCC\C=C/CCCCCC)[C@@H](O)[C@@H]1OCCCCCCCCCC
SMILES:[Na+].[Na+].[Na+].[Na+].CCCCCCCCCCCC(=O)CC(=O)N[C@H]1[C@@H](OP([O-])([O-])=O)O[C@H](CO[C@@H]2O[C@H](COC)[C@@H](OP([O-])([O-])=O)[C@H](OCC[C@@H](CCCCCCC)OC)[C@H]2NC(=O)CCCCCCCCC\C=C/CCCCCC)[C@@H](O)[C@@H]1OCCCCCCCCCC

Eritoran Tetrasodium, a TLR4 receptor antagonist, is used potentially for the treatment of type 2 diabetes.

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