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Chemical structure of Bisdionin C

GC68773

Bisdionin C

Also known as 1-[3-(3,7-dimethyl-2,6-dioxopurin-1-yl)propyl]-3,7-dimethylpurine-2,6-dione

Bisdionin C is an efficient GH18 chitinase inhibitor with an IC50 of 0·2 μM against A· fumigatus ChiB1 (AfChiB1)· Bisdionin C inhibits human macrophage chitotriosidase (HCHT) and acidic mammalian chitinase (AMCase) with inhibition effects of 8·3 and 3·4 μM, respectively

ChemicalCAS74857-22-0MW400.39FormulaC17H20N8O4
CAS number
74857-22-0
Molecular weight
400.39
Formula
C17H20N8O4
Solubility
DMSO ： 2 mg/mL (5·00 mM; ultrasonic and warming and adjust pH to 3 with 1M HCl and heat to 60°C)
InChIKey
KEPIKAFUZRKZMT-UHFFFAOYSA-N
Catalogue number
GC68773
Brand
GLPBIO
Computed properties PubChem CID 5025063 · XLogP -0.4 · TPSA 117 Ų · H-bond donors 0
XLogP
-0.4
TPSA
117 Ų
H-bond donors
0
H-bond acceptors
6
Rotatable bonds
4
Heavy atoms
29

SMILES CN1C=NC2=C1C(=O)N(C(=O)N2C)CCCN3C(=O)C4=C(N=CN4C)N(C3=O)C

Computed descriptors from PubChem (CID 5025063), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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