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Chemical structure of Bimosiamose

GC33908

Bimosiamose

Also listed as Bimosiamose (TBC 1269)

Bimosiamose (TBC 1269) (TBC-1269) is a nonoligosaccharide pan-selectin antagonist with IC50s of 88 μM, 20 μM, and 86 μM for E-selectin, P-selectin, and L-selectin, respectively

ChemicalCAS187269-40-5MW862.91FormulaC46H54O16
CAS number
187269-40-5
Molecular weight
862.91
Formula
C46H54O16
Solubility
DMSO： 125 mg/mL (144·86 mM); 0·1 M NaOH： 25 mg/mL (28·97 mM; ultrasonic and adjust pH to 10 with NaOH)
InChIKey
RYWCQJDEHXJHRI-XJMXIVSISA-N
Catalogue number
GC33908
Brand
GLPBIO
Computed properties PubChem CID 9811353 · XLogP 4.2 · TPSA 273 Ų · H-bond donors 10
XLogP
4.2
TPSA
273 Ų
H-bond donors
10
H-bond acceptors
16
Rotatable bonds
19
Heavy atoms
62

SMILES C1=CC(=CC(=C1)C2=C(C=CC(=C2)CCCCCCC3=CC(=C(C=C3)O[C@@H]4[C@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O)C5=CC=CC(=C5)CC(=O)O)O[C@@H]6[C@H]([C@H]([C@@H]([C@H](O6)CO)O)O)O)CC(=O)O

Computed descriptors from PubChem (CID 9811353), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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