PNU 282987 - Moligand™, ≥98%(HPLC) , Agonist of nicotinic acetylcholine receptor α7 subunit, CAS No.711085-63-1, Agonist of nicotinic acetylcholine receptor α7 subunit

CAS: 711085-63-1 Cat. No.: P288832 Molecular Weight: 264.75 PubChem CID: 9795278

GRADE & PURITY Moligand™, ≥98%(HPLC)

Synonyms

AKOS016339643 | PNU-282987 (free base) | PNU282987.HCl | EX-A3238 | PNU282987 | PNU-282987 | HMS3677E04 | MFCD08703110 | P2774 | AC-35375 | BDBM50161764 | HY-12560 | BCP0726000208 | BDBM50161753 | BRD-K28863208-001-01-2 | J-004946 | (R)-4-Chloro-N-(quinuc

Storage

Store at -20°C,Argon charged

Shipped In

Ice chest + Ice pads

Overview

Product description：

PNU-282987 (free base) is a potent α7 nicotinic acetylcholine receptor (nAChR) agonist with an EC50 of 154 nM. PNU-282987 (free base) is also a functional antagonist of the 5-HT3 receptor with an IC50 of 4541 nM. PNU-282987 (free base) can be used for the research of central and peripheral nervous systems.

Specifications

Synonyms

AKOS016339643 | PNU-282987 (free base) | PNU282987.HCl | EX-A3238 | PNU282987 | PNU-282987 | HMS3677E04 | MFCD08703110 | P2774 | AC-35375 | BDBM50161764 | HY-12560 | BCP0726000208 | BDBM50161753 | BRD-K28863208-001-01-2 | J-004946 | (R)-4-Chloro-N-(quinuc

Specifications & Purity

Moligand™, ≥98%(HPLC)

Biochemical and Physiological Mechanisms

Highly selectiveα7 nAChR agonist (Ki= 26 nM) displaying negligible blockade ofα1β1γδandα3β4nAChRs (IC50≥ 60μM). Found to be inactive against a panel of 32 receptors at 1μM, except 5-HT3receptors (Ki= 930 nM).

Storage

Store at -20°C, Argon charged

Shipped In

Ice chest + Ice pads

This product requires cold chain shipping. Ground and other economy services are not available.

Grade

Moligand™

Action Type

AGONIST

Mechanism of action

Agonist of nicotinic acetylcholine receptor α7 subunit

Purity

≥98%(HPLC)

Names and Identifiers

• Pubchem Sid: 504764857
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504764857
• Canonical Smiles: C1CN2CCC1C(C2)NC(=O)C3=CC=C(C=C3)Cl
• IUPAC Name: N-[(3R)-1-azabicyclo[2.2.2]octan-3-yl]-4-chlorobenzamide
• InChIKey: WECKJONDRAUFDD-ZDUSSCGKSA-N
• INCHI: 1S/C14H17ClN2O/c15-12-3-1-11(2-4-12)14(18)16-13-9-17-7-5-10(13)6-8-17/h1-4,10,13H,5-9H2,(H,16,18)/t13-/m0/s1
• Isomeric SMILES: C1CN2CCC1[C@H](C2)NC(=O)C3=CC=C(C=C3)Cl
• PubChem CID: 9795278
• Molecular Weight: 264.75

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Class Benzene and substituted derivatives
      • Subclass Benzoic acids and derivatives
        • Level5 Halobenzoic acids and derivatives
          • Level6 4-halobenzoic acids and derivatives

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Class: Benzene and substituted derivatives
• Subclass: Benzoic acids and derivatives
• Intermediate Tree Nodes: Halobenzoic acids and derivatives
• Direct Parent: 4-halobenzoic acids and derivatives
• Alternative Parents: Benzamides Quinuclidines Benzoyl derivatives Chlorobenzenes Piperidines Aryl chlorides Trialkylamines Secondary carboxylic acid amides Amino acids and derivatives Azacyclic compounds Organopnictogen compounds Organooxygen compounds Organochlorides Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: 4-halobenzoic acid or derivatives - Benzamide - Benzoyl - Quinuclidine - Chlorobenzene - Halobenzene - Aryl chloride - Aryl halide - Piperidine - Amino acid or derivatives - Carboxamide group - Tertiary aliphatic amine - Tertiary amine - Secondary carboxylic acid amide - Azacycle - Carboxylic acid derivative - Organoheterocyclic compound - Organooxygen compound - Organic nitrogen compound - Amine - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Organic oxygen compound - Organohalogen compound - Organochloride - Organonitrogen compound - Aromatic heteropolycyclic compound
• Description: This compound belongs to the class of organic compounds known as 4-halobenzoic acids and derivatives. These are benzoic acids or derivatives carrying a halogen atom at the 4-position of the benzene ring.
• External Descriptors: Not available

Data sources

1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.

DOI: 10.1186/s13321-016-0174-y

Associated Targets(Human)

CHRNA7 Tchem Neuronal acetylcholine receptor subunit alpha-7 (3 Activities)

Discover Target: CHRNA7

Activity Type	Activity Value -log(M)	Mechanism of Action	Activity Reference	Publications (PubMed IDs)

HTR3A Tclin 5-hydroxytryptamine receptor 3A (1 Activities)

Discover Target: HTR3A

Activity Type	Activity Value -log(M)	Mechanism of Action	Activity Reference	Publications (PubMed IDs)

Chemical and Physical Properties

• Solubility: Solvent:1eq. HCl, Max Conc. mg/mL: 26.48, Max Conc. mM: 100; Solvent:DMSO, Max Conc. mg/mL: 26.48, Max Conc. mM: 100
• Sensitivity: Air Sensitive
• Melt Point(°C): 168 °C
• Molecular Weight: 264.750 g/mol
• XLogP3: 2.400
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 264.103 Da
• Monoisotopic Mass: 264.103 Da
• Topological Polar Surface Area: 32.299 Ų
• Heavy Atom Count: 18
• Formal Charge: 0
• Complexity: 307.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 1
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 1