Products for Research Use Only

DMT1 blocker 2

CAT: 0013-GTR19176795-01Size: 1 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19176795-01Size:1 mg
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Description
Compound 12f is a potent small molecule inhibitor of divalent metal transporter 1 (DMT1) with an IC50 of 0.83 μM against hydrogen peroxide. It is a valuable research tool for studying cellular iron transport mechanisms and is expected to inhibit intestinal iron absorption in vivo.
CAS Number
1062648-63-8
Product Name Alternative
DMT1, DMT1 blocker 2, DMT-1 blocker 2, direct, divalent, Inhibitor, enterocytes, inhibit, iron, metal, transporter, uptake
Field of Research
Pharmacology & Drug Discovery
Purity
99.65% (May vary between batches)
Solubility
DMSO:50 mg/mL (189.9 mM)
Smiles
Oc1c-2c (CCc3ccccc-23) nn1-c1ccccn1
Molecular Formula
C16H13N3O
Molecular Weight
263.29
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

DMT1 blocker 2
CAS Number1062648-63-8
PubChem CID25016113
IUPAC Name2-pyridin-2-yl-4,5-dihydro-3H-benzo[e]indazol-1-one
Molecular FormulaC16H13N3O
Molecular Weight263.29
XLogP2.7
Topological Polar Surface Area45.2
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count1
Heavy Atom Count20
Formal Charge0
Complexity445
SMILES
C1CC2=C(C3=CC=CC=C31)C(=O)N(N2)C4=CC=CC=N4
InChI
InChI=1S/C16H13N3O/c20-16-15-12-6-2-1-5-11(12)8-9-13(15)18-19(16)14-7-3-4-10-17-14/h1-7,10,18H,8-9H2
InChIKey
BKZBNMNLRQXSHY-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of DMT1 blocker 2
CAS: 1062648-63-8
CID: 25016113
Formula: C16H13N3O
MW: 263.29
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight263.29
XLogP32.7
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count1
Exact Mass263.105862047
Monoisotopic Mass263.105862047
Topological Polar Surface Area45.2 Ų
Heavy Atom Count20
Formal Charge0
Complexity445
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes