NQO1 substrate

CAT: 1410-M33225-02Size: 1 mL x 10 mM in DMSODry Ice: NoHazardous: No

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CAT#:1410-M33225-02Size:1 mL x 10 mM in DMSO

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24/48H Stock Items & 2 to 6 Weeks non Stock Items.

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Description

NQO1 substrate is a highly potent NQO1 substrate with potential antitumor activity for leukemia research.

CAS Number

2304503-05-5

Stability

≥ 2 years

Purity

>98% (HPLC)

Weight

268.18

Molecular Formula

C13H2F2N4O

Notes

Research use only, not for human use.

Receptor

NADPH

Chemical Information

NQO1 substrate

CAS Number	2304503-05-5
PubChem CID	138454764
IUPAC Name	6,7-difluoro-9-oxoindeno[1,2-b]pyrazine-2,3-dicarbonitrile
Molecular Formula	C13H2F2N4O
Molecular Weight	268.18
XLogP	1.6
Topological Polar Surface Area	90.4
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	7
Rotatable Bond Count	0
Heavy Atom Count	20
Formal Charge	0
Complexity	535

SMILES

C1=C2C(=CC(=C1F)F)C(=O)C3=NC(=C(N=C23)C#N)C#N

InChI

InChI=1S/C13H2F2N4O/c14-7-1-5-6(2-8(7)15)13(20)12-11(5)18-9(3-16)10(4-17)19-12/h1-2H

InChIKey

PZUSGRHVYDQLHR-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 2304503-05-5

CID: 138454764

Formula: C13H2F2N4O

MW: 268.18

Interactive 3D Structure

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View on PubChem Raw 3D data

Computed Properties

Property	Value
Molecular Weight	268.18
XLogP3	1.6
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	7
Rotatable Bond Count	0
Exact Mass	268.01966702
Monoisotopic Mass	268.01966702
Topological Polar Surface Area	90.4 Å²
Heavy Atom Count	20
Formal Charge	0
Complexity	535
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

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HY-114315-01	NQO1 substrate
A18699-1	NQO1 substrate 1mg
A18699-50	NQO1 substrate 50mg
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A18699-2	NQO1 substrate 2mg
A18699-25	NQO1 substrate 25mg
A18699-5	NQO1 substrate 5mg
A18699-10mM-D	NQO1 substrate 10mM * 1mL in DMSO
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NQO1 substrate

Chemical Information

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