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Chemical structure of 6PGD-IN-1

GC76388

6PGD-IN-1

Also known as 1-hydroxy-8-methoxyanthracene-9,10-dione

6PGD-IN-1 (compound S3) is an inhibitor of 6-phosphogluconate dehydrogenase (6PGD)

ChemicalCAS5539-66-2MW254.24FormulaC15H10O4
CAS number
5539-66-2
Molecular weight
254.24
Formula
C15H10O4
Solubility
DMSO： 20 mg/mL (78·67 mM; Need ultrasonic)
InChIKey
QWZMLZHLNDNLAD-UHFFFAOYSA-N
Catalogue number
GC76388
Brand
GLPBIO
Computed properties PubChem CID 620286 · XLogP 3.5 · TPSA 63.6 Ų · H-bond donors 1
XLogP
3.5
TPSA
63.6 Ų
H-bond donors
1
H-bond acceptors
4
Rotatable bonds
1
Heavy atoms
19

SMILES COC1=CC=CC2=C1C(=O)C3=C(C2=O)C=CC=C3O

Computed descriptors from PubChem (CID 620286), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

Ordering in Israel

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