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Chemical structure of DMU2139

GC19416

DMU2139

Also known as (E)-1-(6-methoxynaphthalen-2-yl)-3-pyridin-3-ylprop-2-en-1-one

DMU2139 is a potent and specific CYP1B1 inhibitor, with IC50s of 9 nM and 795 nM for CYP1B1 and CYP1A1, respectively

ChemicalCAS1821143-80-9MW289.33FormulaC19H15NO2
CAS number
1821143-80-9
Molecular weight
289.33
Formula
C19H15NO2
Solubility
Soluble in DMSO
InChIKey
MPDPEUALCUWORP-RUDMXATFSA-N
Catalogue number
GC19416
Brand
GLPBIO
Computed properties PubChem CID 13615899 · XLogP 3.8 · TPSA 39.2 Ų · H-bond donors 0
XLogP
3.8
TPSA
39.2 Ų
H-bond donors
0
H-bond acceptors
3
Rotatable bonds
4
Heavy atoms
22

SMILES COC1=CC2=C(C=C1)C=C(C=C2)C(=O)/C=C/C3=CN=CC=C3

Computed descriptors from PubChem (CID 13615899), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

Ordering in Israel

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