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IP-DNQ

CAT: 0804-HY-178774Size: 1 EachDry Ice: NoHazardous: No
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CAT#:0804-HY-178774Size:1 Each
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Description
IP-DNQ is an efficient NQO1 dependent cytotoxic agent. IP-DNQ has a potent killing effect on MCF-7 cells (IC50 = 0.18 µM) . IP-DNQ can be used for cancer research[1].
CAS Number
1430798-23-4
Product Name Alternative
Isopentyl-deoxynboquinone
UNSPSC
12352005
Target
Quinone Reductase
Related Pathways
Metabolic Enzyme/Protease
Field of Research
Cancer
Smiles
O=C1C=C(C)C(C(C(C(C)=C2)=C3N(CCC(C)C)C2=O)=O)=C(N1)C3=O
Molecular Formula
C19H20N2O4
Molecular Weight
340.37
References & Citations
[1]Paul J. Hergenrother, et al. Preparation of antitumor NAD (P) H quinone oxidoreductase (NQO1) substrates. WO2013056073 .
Shipping Conditions
Room temperature
Scientific Category
Reference compound1
Clinical Information
No Development Reported

Chemical Information

4,6-dimethyl-1-(3-methylbutyl)-9H-pyrido[3,2-g]quinoline-2,5,8,10-tetrone
CAS Number1430798-23-4
PubChem CID89510042
IUPAC Name4,6-dimethyl-1-(3-methylbutyl)-9H-pyrido[3,2-g]quinoline-2,5,8,10-tetrone
Molecular FormulaC19H20N2O4
Molecular Weight340.4
XLogP1
Topological Polar Surface Area83.6
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count3
Heavy Atom Count25
Formal Charge0
Complexity853
SMILES
CC1=CC(=O)NC2=C1C(=O)C3=C(C2=O)N(C(=O)C=C3C)CCC(C)C
InChI
InChI=1S/C19H20N2O4/c1-9(2)5-6-21-13(23)8-11(4)15-17(21)19(25)16-14(18(15)24)10(3)7-12(22)20-16/h7-9H,5-6H2,1-4H3,(H,20,22)
InChIKey
KSDAYRXQDULQPE-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 4,6-dimethyl-1-(3-methylbutyl)-9H-pyrido[3,2-g]quinoline-2,5,8,10-tetrone
CAS: 1430798-23-4
CID: 89510042
Formula: C19H20N2O4
MW: 340.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight340.4
XLogP31
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count3
Exact Mass340.14230712
Monoisotopic Mass340.14230712
Topological Polar Surface Area83.6 Ų
Heavy Atom Count25
Formal Charge0
Complexity853
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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