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L82

CAT: 0931-T60753-04Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0931-T60753-04Size:25 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
329227-30-7
Target
DNA, DNA/RNA Synthesis
Related Pathways
DNA Damage/DNA Repair, Cell Cycle/Checkpoint
Purity
0.9907
Bioactivity
L82 is a DNA ligase 1 (DNA Lig1) inhibitor (hLig1 IC50=12 μM) that is selective and non-competitive.L82 expresses anti-proliferative activity against breast cancer cells.
Smiles
Oc1ccc(\C=N\Nc2cn[nH]c(=O)c2Cl)cc1[N+]([O-])=O
Molecular Formula
C11H8ClN5O4
Molecular Weight
309.67
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

4-chloro-5-[(2E)-2-(4-hydroxy-3-nitrobenzylidene)hydrazinyl]pyridazin-3-ol
CAS Number329227-30-7
PubChem CID135651244
IUPAC Name5-chloro-4-[(2E)-2-[(4-hydroxy-3-nitrophenyl)methylidene]hydrazinyl]-1H-pyridazin-6-one
Molecular FormulaC11H8ClN5O4
Molecular Weight309.66
XLogP2
Topological Polar Surface Area132
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count7
Rotatable Bond Count3
Heavy Atom Count21
Formal Charge0
Complexity527
SMILES
C1=CC(=C(C=C1/C=N/NC2=C(C(=O)NN=C2)Cl)[N+](=O)[O-])O
InChI
InChI=1S/C11H8ClN5O4/c12-10-7(5-14-16-11(10)19)15-13-4-6-1-2-9(18)8(3-6)17(20)21/h1-5,18H,(H2,15,16,19)/b13-4+
InChIKey
WUVOGTSGMTVCGA-YIXHJXPBSA-N
Chemical Structure
2D Structure
2D structure of 4-chloro-5-[(2E)-2-(4-hydroxy-3-nitrobenzylidene)hydrazinyl]pyridazin-3-ol
CAS: 329227-30-7
CID: 135651244
Formula: C11H8ClN5O4
MW: 309.66
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight309.66
XLogP32
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count7
Rotatable Bond Count3
Exact Mass309.0264814
Monoisotopic Mass309.0264814
Topological Polar Surface Area132 Ų
Heavy Atom Count21
Formal Charge0
Complexity527
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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