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AV-153

CAT: 0804-HY-135218Size: 1 EachDry Ice: NoHazardous: No
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CAT#:0804-HY-135218Size:1 Each
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Description
AV-153, a 1,4-dihydropyridine (1,4-DHP) derivative, is an antimutagenic. AV-153 intercalates to DNA in a single strand break and reduces DNA damage, stimulates DNA repair in human cells in vitro. AV-153 interacts with thymine and cytosine and has an influence on poly (ADP) ribosylation. AV-153 has anti-cancer activity[1][2][3].
CAS Number
27296-05-5
UNSPSC
12352005
Target
DNA/RNA Synthesis
Type
Reference compound
Related Pathways
Cell Cycle/DNA Damage
Applications
Cancer-programmed cell death
Field of Research
Cancer
Assay Protocol
https://www.medchemexpress.com/av-153.html
Solubility
10 mM in DMSO
Smiles
O=C(C1=C(C)NC(C)=C(C(OCC)=O)C1C(O[Na])=O)OCC
Molecular Formula
C14H18NNaO6
Molecular Weight
319.29
References & Citations
[1]Nadezhda I Ryabokon, et al. A 1,4-dihydropyridine Derivative Reduces DNA Damage and Stimulates DNA Repair in Human Cells in Vitro. Mutat Res. 2005 Nov 10;587 (1-2) :52-8.|[2]E Buraka, et al. DNA-binding Studies of AV-153, an Antimutagenic and DNA Repair-Stimulating Derivative of 1,4-dihydropiridine. Chem Biol Interact. 2014 Sep 5;220:200-7.|[3]Lidija Milkovic, et al. Antioxidative 1,4-Dihydropyridine Derivatives Modulate Oxidative Stress and Growth of Human Osteoblast-Like Cells In Vitro. Antioxidants (Basel) . 2018 Sep 19;7 (9) :123.
Shipping Conditions
Room temperature
Scientific Category
Reference compound1
Clinical Information
No Development Reported

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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