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AOH1996

CAT: 1410-M36932-03Size: 10 mgDry Ice: NoHazardous: No
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CAT#:1410-M36932-03Size:10 mg
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Description
AOH1996 is an orally active ligand for the replicasome component PCNA (proliferating cell nuclear antigen), targeting the transcription-replication conflict (TRC) . It interferes with the interaction of PCNA with its binding proteins, leading to DNA replication stress and apoptosis. AOH1996 causes proteasome-dependent rpb1 degradation and lethal DNA damage by stabilizing the interaction between PCNA and RNA polymerase II, and acts synergistically with DNA damaging agents to inhibit tumor cell growth.
CAS Number
2089314-64-5
Stability
≥ 2 years
Purity
>98% (HPLC)
Weight
426.46
Molecular Formula
C26H22N2O4
Notes
Research use only, not for human use.
Receptor
Apoptosis | DNA

Chemical Information

N-(2-((2-(3-Methoxyphenoxy)phenyl)amino)-2-oxoethyl)-1-naphthalenecarboxamide

AOH1996 is a secondary carboxamide resulting from the formal condensation of the carboxy group of N-(naphthalen-1-ylcarbonyl)glycine with the amino group of 2-(3-methoxyphenoxy)aniline. It is a first-in-class small molecule inhibitor of PCNA, a protein essential for DNA replication and repair within tumours. It has a role as a PCNA inhibitor, an antineoplastic agent and an apoptosis inducer. It is a secondary carboxamide, a monomethoxybenzene, an aromatic ether, a diether and a naphthalenecarboxamide.

CAS Number2089314-64-5
PubChem CID126718388
IUPAC NameN-[2-[2-(3-methoxyphenoxy)anilino]-2-oxoethyl]naphthalene-1-carboxamide
Molecular FormulaC26H22N2O4
Molecular Weight426.5
XLogP4.9
Topological Polar Surface Area76.7
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count7
Heavy Atom Count32
Formal Charge0
Complexity627
SMILES
COC1=CC(=CC=C1)OC2=CC=CC=C2NC(=O)CNC(=O)C3=CC=CC4=CC=CC=C43
InChI
InChI=1S/C26H22N2O4/c1-31-19-10-7-11-20(16-19)32-24-15-5-4-14-23(24)28-25(29)17-27-26(30)22-13-6-9-18-8-2-3-12-21(18)22/h2-16H,17H2,1H3,(H,27,30)(H,28,29)
InChIKey
HDMONPHKMIZXDH-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of N-(2-((2-(3-Methoxyphenoxy)phenyl)amino)-2-oxoethyl)-1-naphthalenecarboxamide
CAS: 2089314-64-5
CID: 126718388
Formula: C26H22N2O4
MW: 426.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight426.5
XLogP34.9
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count7
Exact Mass426.15795719
Monoisotopic Mass426.15795719
Topological Polar Surface Area76.7 Ų
Heavy Atom Count32
Formal Charge0
Complexity627
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

Alternative Products

CatalogName
MBS5819257AOH1996
TMIH-0025-0113C-d3-AOH1996

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