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1821143-80-9

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1821143-80-9 Structure

1821143-80-9 Structure
IdentificationBack Directory
[Name]

DMU2139
[CAS]

1821143-80-9
[Synonyms]

CYP1B1 inhibitor
DMU2139(CYP1B1 inhibitor 6j)
DMU2139;DMU-2139;DMU 2139;CYP1B1 INHIBITOR;1821143-80-9
(E)-1-(6-methoxynaphthalen-2-yl)-3-pyridin-3-ylprop-2-en-1-one
2-Propen-1-one, 1-(6-methoxy-2-naphthalenyl)-3-(3-pyridinyl)-, (2E)-
[Molecular Formula]

C19H15NO2
[MOL File]

1821143-80-9.mol
[Molecular Weight]

289.33
Chemical PropertiesBack Directory
[Boiling point ]

488.6±45.0 °C(Predicted)
[density ]

1.199±0.06 g/cm3(Predicted)
[storage temp. ]

Inert atmosphere,2-8°C
[solubility ]

DMSO:77.5(Max Conc. mg/mL);267.86(Max Conc. mM)
Ethanol:5.0(Max Conc. mg/mL);17.28(Max Conc. mM)
[form ]

Solid
[pka]

3.80±0.11(Predicted)
[color ]

Light yellow to yellow
Safety DataBack Directory
[Symbol(GHS) ]

Exclamation Mark (GHS07)
GHS07
[Signal word ]

Warning
[Hazard statements ]

H302-H315-H319-H335
[Precautionary statements ]

P261-P305+P351+P338
Hazard InformationBack Directory
[Uses]

DMU2139 is a potent and specific CYP1B1 inhibitor, with IC50s of 9 nM and 795 nM for CYP1B1 and CYP1A1, respectively.
[Biological Activity]

DMU2139 is a potent and specific cytochrome P4501B1 (CYP1B1) inhibitor with IC50 values of 9 nM and 795 nM for CYP1B1 and CYP1A1, respectively.
[in vitro]

DMU2139 (6j) shows 88 and 133-fold selectivity for CYP1B1 over CYP1A1 and CYP1A2. In the presence of DMU2139, the EC 50 is reversed back to 8.3 μM from 61 μM ( seen in CYP1B1-expressing cells without any inhibitor). The EC 50 value, in the presence of DMU2139, resembles the EC 50 of cisplatin, 8.7μM, in cells transfected with the empty plasmid which has no CYP1B1 gene and therefore cannot express CYP1B1 protein.

[target]

CYP1B1

9 nM (IC 50 )

CYP1A1

795 nM (IC 50 )

[IC 50]

CYP1B1: 9 nM (IC50); CYP1A1: 795 nM (IC50)
[References]

[1] Horley NJ, et al. Discovery and characterization of novel CYP1B1 inhibitors based on heterocyclic chalcones: Overcoming cisplatin resistance in CYP1B1-overexpressing lines. Eur J Med Chem. 2017 Mar 31;129:159-174. DOI:10.1016/j.ejmech.2017.02.016
Spectrum DetailBack Directory
[Spectrum Detail]

DMU2139(1821143-80-9)1HNMR
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