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Chemical structure of DMT1 blocker 1

GC35885

DMT1 blocker 1

Also known as 5-methyl-3-oxo-N-phenyl-2-pyridin-2-yl-1H-pyrazole-4-carboxamide

DMT1 blocker 1 is a blocker of divalent metal transporter 1 (DMT1) with an IC50 of 0·64 μM, is expected to block iron uptake by enterocytes in vivo

ChemicalCAS1354790-56-9MW294.31FormulaC16H14N4O2
CAS number
1354790-56-9
Molecular weight
294.31
Formula
C16H14N4O2
Solubility
DMSO ： 50 mg/mL (169·89 mM; Need ultrasonic)
InChIKey
QJEBTCLOCMTSJU-UHFFFAOYSA-N
Catalogue number
GC35885
Brand
GLPBIO
Computed properties PubChem CID 25098135 · XLogP 2.2 · TPSA 74.3 Ų · H-bond donors 2
XLogP
2.2
TPSA
74.3 Ų
H-bond donors
2
H-bond acceptors
4
Rotatable bonds
3
Heavy atoms
22

SMILES CC1=C(C(=O)N(N1)C2=CC=CC=N2)C(=O)NC3=CC=CC=C3

Computed descriptors from PubChem (CID 25098135), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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Documents
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