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2-PMAP   Click here for help

GtoPdb Ligand ID: 7530

Synonyms: AGN-PC-0031SD | ARN-2966
Compound class: Synthetic organic
Comment: 2-PMAP is an investigational compound for Alzheimer's disease (AD). A recent study has demonstrated that this compound crosses the blood-brain barrier and reduces levels of full-length amyloid precursor protein (APP) and amyloid beta (Aβ) deposition in the brains of AD model mice without causing significant toxicity [1]. This is accompanied by reduced Aβ pathology and rescue of memory deficit in AD model mice via an inhibitory effect on mRNA translation. This compound may exist as a tautomer with PubChem CID 68604369.

2-PMAP is commercially available from our sponsors

2D Structure
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2D Structure

An image of the ligand's 2D structure. For small molecules with SMILES these are drawn using the NCI/CADD Chemical Identifier Resolver. Click on the image to access the chemical structure search tool with the ligand pre-loaded in the structure editor. For other types of ligands, e.g. longer nucleotides and peptides, a manually drawn representation of the molecule may be provided.

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Click here for structure editor
Physico-chemical Properties
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Physico-chemical Properties

Calculated molecular properties are available for small molecules and natural products (not peptides). Properties were generated using the Chemistry Development Kit (CDK) (Willighagen EL et al. Journal of Cheminformatics vol. 9:33. 2017, doi:10.1186/s13321-017-0220-4; https://cdk.github.io/). All properties were selected to enable the prediction of the Lipinski Rule-of-Five profile or ‘druglikeness’ for each ligand. For more info on each category see the help pages.

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Hydrogen bond acceptors 2
Hydrogen bond donors 2
Rotatable bonds 3
Topological polar surface area 45.15
Molecular weight 200.09
XLogP 2.24
No. Lipinski's rules broken 0

Generated using the Chemistry Development Kit (CDK) (Willighagen EL et al. Journal of Cheminformatics vol. 9:33. 2017, doi:10.1186/s13321-017-0220-4; https://cdk.github.io/)
SMILES / InChI / InChIKey
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SMILES / InChI / InChIKey

SMILES (Simplified Molecular Input Line Entry Specification) A specification for unambiguously describing the structure of chemical molecules using short ASCII strings. Canonical SMILES specify a unique representation of the 2D structure without chiral or isotopic specifications. Isomeric SMILES include chiral specification and isotopes.

Standard InChI (IUPAC International Chemical Identifier) and InChIKey InChI is a non-proprietary, standard, textual identifier for chemical substances designed to facilitate linking of information and database searching. An InChIKey is a simplified version of a full InChI, designed for easier web searching.

Generated using the Chemistry Development Kit (CDK) (Willighagen EL et al. Journal of Cheminformatics vol. 9:33. 2017, doi:10.1186/s13321-017-0220-4; https://cdk.github.io/)

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Canonical SMILES Oc1ccccc1NCc1ccccn1
Isomeric SMILES Oc1ccccc1NCc1ccccn1
InChI InChI=1S/C12H12N2O/c15-12-7-2-1-6-11(12)14-9-10-5-3-4-8-13-10/h1-8,14-15H,9H2
InChI Key GXJRVWZNMZGWAQ-UHFFFAOYSA-N

Generated using the Chemistry Development Kit (CDK) (Willighagen EL et al. Journal of Cheminformatics vol. 9:33. 2017, doi:10.1186/s13321-017-0220-4; https://cdk.github.io/)
Classification Click here for help
Compound class Synthetic organic
IUPAC Name Click here for help
2-(pyridin-2-ylmethylamino)phenol
Synonyms Click here for help
AGN-PC-0031SD | ARN-2966
Database Links Click here for help
CAS Registry No. 102212-26-0 (source: SciFinder)
GtoPdb PubChem SID 187051831
PubChem CID 14936865
Search Google for chemical match using the InChIKey GXJRVWZNMZGWAQ-UHFFFAOYSA-N
Search Google for chemicals with the same backbone GXJRVWZNMZGWAQ
UniChem Compound Search for chemical match using the InChIKey GXJRVWZNMZGWAQ-UHFFFAOYSA-N
UniChem Connectivity Search for chemical match using the InChIKey GXJRVWZNMZGWAQ-UHFFFAOYSA-N

Product suppliers

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MedChemExpress
ARN2966 (links to external site)
Cat. No. HY-18292