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DMU2139

CAT: 0804-HY-101285-05Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0804-HY-101285-05Size:50 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
DMU2139 is a potent and specific CYP1B1 inhibitor, with IC50s of 9 nM and 795 nM for CYP1B1 and CYP1A1, respectively.
CAS Number
1821143-80-9
UNSPSC
12352005
Hazard Statement
H302, H315, H319, H335
Target
Cytochrome P450
Type
Reference compound
Related Pathways
Metabolic Enzyme/Protease
Applications
Cancer-programmed cell death
Field of Research
Cancer
Assay Protocol
https://www.medchemexpress.com/DMU2139.html
Purity
98.0
Solubility
DMSO : 77.5 mg/mL (ultrasonic) |Ethanol : 5 mg/mL (ultrasonic)
Smiles
O=C(C1=CC=C2C=C(OC)C=CC2=C1)/C=C/C3=CC=CN=C3
Molecular Formula
C19H15NO2
Molecular Weight
289.33
Precautions
H302, H315, H319, H335
References & Citations
[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.
Shipping Conditions
Room Temperature
Storage Conditions
-20°C, 3 years; 4°C, 2 years (Powder)
Scientific Category
Reference compound1
Clinical Information
No Development Reported
Isoform
CYP1

Chemical Information

(E)-1-(6-Methoxynaphthalen-2-yl)-3-pyridin-3-ylprop-2-en-1-one
CAS Number1821143-80-9
PubChem CID13615899
IUPAC Name(E)-1-(6-methoxynaphthalen-2-yl)-3-pyridin-3-ylprop-2-en-1-one
Molecular FormulaC19H15NO2
Molecular Weight289.3
XLogP3.8
Topological Polar Surface Area39.2
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count3
Rotatable Bond Count4
Heavy Atom Count22
Formal Charge0
Complexity406
SMILES
COC1=CC2=C(C=C1)C=C(C=C2)C(=O)/C=C/C3=CN=CC=C3
InChI
InChI=1S/C19H15NO2/c1-22-18-8-7-15-11-17(6-5-16(15)12-18)19(21)9-4-14-3-2-10-20-13-14/h2-13H,1H3/b9-4+
InChIKey
MPDPEUALCUWORP-RUDMXATFSA-N
Chemical Structure
2D Structure
2D structure of (E)-1-(6-Methoxynaphthalen-2-yl)-3-pyridin-3-ylprop-2-en-1-one
CAS: 1821143-80-9
CID: 13615899
Formula: C19H15NO2
MW: 289.3
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight289.3
XLogP33.8
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count3
Rotatable Bond Count4
Exact Mass289.110278721
Monoisotopic Mass289.110278721
Topological Polar Surface Area39.2 Ų
Heavy Atom Count22
Formal Charge0
Complexity406
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count1
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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