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DMNB

CAT: 0931-T8637-01Size: 1 mL - 10 mM (in DMSO)Dry Ice: NoHazardous: No
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CAT#:0931-T8637-01Size:1 mL - 10 mM (in DMSO)
Selected
24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
20357-25-9
Target
Others, DNA-PK
Related Pathways
Others, DNA Damage/DNA Repair, PI3K/Akt/mTOR signaling
Purity
≥98%
Bioactivity
DMNB (6-Nitroveratraldehyde) is DNA-dependent protein kinase (DNA-PK) inhibitor with IC50 of 15 μM, an enzyme involved in the non-homologous end-joining (NHEJ) pathway of double-stranded DNA break (DSB) repair in human cells.
Smiles
COC1=C(OC)C=C(C(C=O)=C1)[N+]([O-])=O
Molecular Formula
C9H9NO5
Molecular Weight
211.17
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

6-Nitroveratraldehyde

4,5-dimethoxy-2-nitrobenzaldehyde is an aromatic ether and a C-nitro compound.

CAS Number20357-25-9
PubChem CID88505
IUPAC Name4,5-dimethoxy-2-nitrobenzaldehyde
Molecular FormulaC9H9NO5
Molecular Weight211.17
XLogP1.2
Topological Polar Surface Area81.4
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count5
Rotatable Bond Count3
Heavy Atom Count15
Formal Charge0
Complexity239
SMILES
COC1=C(C=C(C(=C1)C=O)[N+](=O)[O-])OC
InChI
InChI=1S/C9H9NO5/c1-14-8-3-6(5-11)7(10(12)13)4-9(8)15-2/h3-5H,1-2H3
InChIKey
YWSPWKXREVSQCA-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 6-Nitroveratraldehyde
CAS: 20357-25-9
CID: 88505
Formula: C9H9NO5
MW: 211.17
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight211.17
XLogP31.2
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count5
Rotatable Bond Count3
Exact Mass211.04807239
Monoisotopic Mass211.04807239
Topological Polar Surface Area81.4 Ų
Heavy Atom Count15
Formal Charge0
Complexity239
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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