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Chemical structure of DMT1 blocker 2

GC35886

DMT1 blocker 2

Also known as 2-pyridin-2-yl-4,5-dihydro-3H-benzo[e]indazol-1-one

DMT1 blocker 2 is a direct inhibitor of divalent metal transporter 1 (DMT1), with an IC50 of 0·83 μM

ChemicalCAS1062648-63-8MW263.29FormulaC16H13N3O
CAS number
1062648-63-8
Molecular weight
263.29
Formula
C16H13N3O
Solubility
DMSO : 50 mg/mL (189·90 mM; Need ultrasonic)
InChIKey
BKZBNMNLRQXSHY-UHFFFAOYSA-N
Catalogue number
GC35886
Brand
GLPBIO
Computed properties PubChem CID 25016113 · XLogP 2.7 · TPSA 45.2 Ų · H-bond donors 1
XLogP
2.7
TPSA
45.2 Ų
H-bond donors
1
H-bond acceptors
3
Rotatable bonds
1
Heavy atoms
20

SMILES C1CC2=C(C3=CC=CC=C31)C(=O)N(N2)C4=CC=CC=N4

Computed descriptors from PubChem (CID 25016113), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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