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NQO2-IN-1

CAT: 0931-T203013-01Size: 1 mgDry Ice: NoHazardous: No
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CAT#:0931-T203013-01Size:1 mg
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CAS Number
2920687-14-3
Target
ROS, NADPH, Apoptosis
Related Pathways
Apoptosis, Immunology/Inflammation, Metabolism
Purity
0.9983
Bioactivity
NQO2-IN-1, a resveratrol analog, is a potent quinone oxidoreductase 2 (NQO2) inhibitor (IC50=95 nM) with antitumor potential through the generation of ROS and up-regulation of DR5 (death receptor 5) to reverse trial resistance and promote apoptosis.
Smiles
N1=CC(=CC2=CC=C(N)C=C12)C3=CC(OC)=C(OC)C(OC)=C3
Molecular Formula
C18H18N2O3
Molecular Weight
310.35
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

3-(3,4,5-Trimethoxyphenyl)quinolin-7-amine
CAS Number2920687-14-3
PubChem CID172991790
IUPAC Name3-(3,4,5-trimethoxyphenyl)quinolin-7-amine
Molecular FormulaC18H18N2O3
Molecular Weight310.3
XLogP3
Topological Polar Surface Area66.6
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count5
Rotatable Bond Count4
Heavy Atom Count23
Formal Charge0
Complexity367
SMILES
COC1=CC(=CC(=C1OC)OC)C2=CN=C3C=C(C=CC3=C2)N
InChI
InChI=1S/C18H18N2O3/c1-21-16-7-12(8-17(22-2)18(16)23-3)13-6-11-4-5-14(19)9-15(11)20-10-13/h4-10H,19H2,1-3H3
InChIKey
GXPISTYYGCICRI-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 3-(3,4,5-Trimethoxyphenyl)quinolin-7-amine
CAS: 2920687-14-3
CID: 172991790
Formula: C18H18N2O3
MW: 310.3
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight310.3
XLogP33
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count5
Rotatable Bond Count4
Exact Mass310.13174244
Monoisotopic Mass310.13174244
Topological Polar Surface Area66.6 Ų
Heavy Atom Count23
Formal Charge0
Complexity367
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

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