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AV-153

CAT: 0013-GTR19189102Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19189102Size:25 mg
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Description
AV-153 is a 1,4-dihydropyridine-based compound with antimutagenic and anticancer properties. It functions by intercalating into DNA at strand breaks, reducing DNA damage, and stimulating repair processes in vitro. Its activity involves interactions with pyrimidine bases and modulation of poly (ADP-ribose) polymerase (PARP) -related pathways.
CAS Number
27296-05-5
Field of Research
Cell Biology, Molecular Biology
Smiles
[Na].CCOC (=O) C1=C (C) NC (C) =C (C1C (O) =O) C (=O) OCC |c:5,10|
Molecular Formula
C14H19NNaO6
Molecular Weight
320.297
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

3,5-Diethyl 1,4-dihydro-2,6-dimethyl-2,6-dimethyl-3,4,5-pyridinetricarboxylate monosodium salt
CAS Number27296-05-5
PubChem CID23688930
IUPAC Namesodium 3,5-bis(ethoxycarbonyl)-2,6-dimethyl-1,4-dihydropyridine-4-carboxylate
Molecular FormulaC14H18NNaO6
Molecular Weight319.28
Topological Polar Surface Area105
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count7
Rotatable Bond Count7
Heavy Atom Count22
Formal Charge0
Complexity497
SMILES
CCOC(=O)C1=C(NC(=C(C1C(=O)[O-])C(=O)OCC)C)C.[Na+]
InChI
InChI=1S/C14H19NO6.Na/c1-5-20-13(18)9-7(3)15-8(4)10(11(9)12(16)17)14(19)21-6-2;/h11,15H,5-6H2,1-4H3,(H,16,17);/q;+1/p-1
InChIKey
DBROLRZEUAZZAL-UHFFFAOYSA-M
Chemical Structure
2D Structure
2D structure of 3,5-Diethyl 1,4-dihydro-2,6-dimethyl-2,6-dimethyl-3,4,5-pyridinetricarboxylate monosodium salt
CAS: 27296-05-5
CID: 23688930
Formula: C14H18NNaO6
MW: 319.28
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight319.28
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count7
Rotatable Bond Count7
Exact Mass319.10318158
Monoisotopic Mass319.10318158
Topological Polar Surface Area105 Ų
Heavy Atom Count22
Formal Charge0
Complexity497
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count2
Compound Is CanonicalizedYes

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