Name: Bimosiamose disodium
Rating: 5 (10 reviews)

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sdf 文件

结构编辑

类似物检索

HIT ID:HIT218659377
Cas No:
常用名:Bimosiamose disodium
别名:TBC-1269Z
IUPAC:disodium 2-(5'-{6-[3'-(carboxylatomethyl)-6-{[(2R,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-[1,1'-biphenyl]-3-yl]hexyl}-2'-{[(2R,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-[1,1'-biphenyl]-3-yl)acetate
IUPAC:disodium 2-(5'-{6-[3'-(carboxylatomethyl)-6-{[(2R,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-[1,1'-biphenyl]-3-yl]hexyl}-2'-{[(2R,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-[1,1'-biphenyl]-3-yl)acetate
InChI key:ZGEPTUZKSXWWAB-PNGDFCJYSA-L

分子式:C46H52Na2O16
分子量:906.886
氢键供体数 (HBD):
氢键受体数 (HBA):
LogP:
SMILES:[Na+].[Na+].OC[C@H]1O[C@H](Oc2ccc(CCCCCCc3ccc(O[C@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]4O)c(c3)-c3cccc(CC([O-])=O)c3)cc2-c2cccc(CC([O-])=O)c2)[C@@H](O)[C@@H](O)[C@@H]1O
SMILES:[Na+].[Na+].OC[C@H]1O[C@H](Oc2ccc(CCCCCCc3ccc(O[C@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]4O)c(c3)-c3cccc(CC([O-])=O)c3)cc2-c2cccc(CC([O-])=O)c2)[C@@H](O)[C@@H](O)[C@@H]1O

Bimosiamose disodium has anti-inflammatory effects[1]. Bimosiamose disodium (TBC-1269Z) is a nonoligosaccharide pan-selectin inhibitor with IC50s of 88 μM, 20 μM, and 86 μM for E-selectin, P-selectin, and L-selectin, respectively.

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