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L67

CAT: 0931-T3103-03Size: 10 mgDry Ice: NoHazardous: No
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CAT#:0931-T3103-03Size:10 mg
Selected
24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
325970-71-6
Target
ROS, DNA/RNA Synthesis, Caspase, Apoptosis, DNA, Reactive Oxygen Species
Related Pathways
DNA Damage/DNA Repair, Apoptosis, NF-κB, Proteases/Proteasome, Metabolism, Cell Cycle/Checkpoint, Immunology/Inflammation
Purity
0.9979
Bioactivity
L67 (DNA Ligase Inhibitor) is a competitive inhibitor of human DNA ligases I and III with an IC50 of 10 μM.
Smiles
Cc1c(Br)cc(NCC(=O)N\N=C\c2cc(ccc2O)[N+]([O-])=O)cc1Br
Molecular Formula
C16H14Br2N4O4
Molecular Weight
486.11
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

2-(3,5-dibromo-4-methylanilino)-N'-(2-hydroxy-5-nitrobenzylidene)acetohydrazide
CAS Number325970-71-6
PubChem CID135419707
IUPAC Name2-(3,5-dibromo-4-methylanilino)-N-[(E)-(2-hydroxy-5-nitrophenyl)methylideneamino]acetamide
Molecular FormulaC16H14Br2N4O4
Molecular Weight486.1
XLogP4.1
Topological Polar Surface Area120
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count6
Rotatable Bond Count5
Heavy Atom Count26
Formal Charge0
Complexity519
SMILES
CC1=C(C=C(C=C1Br)NCC(=O)N/N=C/C2=C(C=CC(=C2)[N+](=O)[O-])O)Br
InChI
InChI=1S/C16H14Br2N4O4/c1-9-13(17)5-11(6-14(9)18)19-8-16(24)21-20-7-10-4-12(22(25)26)2-3-15(10)23/h2-7,19,23H,8H2,1H3,(H,21,24)/b20-7+
InChIKey
KFEPVFJQVOMODD-IFRROFPPSA-N
Chemical Structure
2D Structure
2D structure of 2-(3,5-dibromo-4-methylanilino)-N'-(2-hydroxy-5-nitrobenzylidene)acetohydrazide
CAS: 325970-71-6
CID: 135419707
Formula: C16H14Br2N4O4
MW: 486.1
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight486.1
XLogP34.1
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count6
Rotatable Bond Count5
Exact Mass485.93613
Monoisotopic Mass483.93818
Topological Polar Surface Area120 Ų
Heavy Atom Count26
Formal Charge0
Complexity519
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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