Piromelatine - ≥99% , Melatonin receptor agonist, CAS No.946846-83-9, Melatonin receptor agonist

CAS: 946846-83-9 Cat. No.: P649870 Formula: C₁₇H₁₆N₂O₄ Molecular Weight: 312.32 PubChem CID: 24815904

GRADE & PURITY ≥99%

Synonyms

Piromelatine [INN] | NEU-P11 | NEU-P-11 | Piromelatine | S3UN2146K9 | N-(2-(5-Methoxy-1H-indol-3-yl)ethyl)-4-oxo-4H-pyran-2-carboxamide

Storage

Protected from light,Store at -20°C

Shipped In

Ice chest + Ice pads

Overview

Piromelatine (Neu-P11) is a melatonin MT1/MT2 receptor agonist, serotonin 5-HT1A/5-HT1D agonist, and serotonin 5-HT2B antagonist. Piromelatine (Neu-P11) possesses sleep promoting, analgesic, anti-neurodegenerative, anxiolytic and antidepressant potentials. Piromelatine (Neu-P11) also possesses pain-related P2X3, TRPV1, and Nav1.7 channel-inhibition capacities

Specifications

Synonyms

Piromelatine [INN] | NEU-P11 | NEU-P-11 | Piromelatine | S3UN2146K9 | N-(2-(5-Methoxy-1H-indol-3-yl)ethyl)-4-oxo-4H-pyran-2-carboxamide

Specifications & Purity

≥99%

Storage

Protected from light,Store at -20°C

Shipped In

Ice chest + Ice pads

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

Action Type

AGONIST

Mechanism of action

Melatonin receptor agonist

Purity

≥99%

Product Properties

alogp

1.7

Names and Identifiers

Pubchem Sid

528766775

Canonical Smiles

COC1=CC2=C(C=C1)NC=C2CCNC(=O)C3=CC(=O)C=CO3

IUPAC Name

N-[2-(5-methoxy-1H-indol-3-yl)ethyl]-4-oxopyran-2-carboxamide

InChIKey

PNTNBIHOAPJYDB-UHFFFAOYSA-N

INCHI

1S/C17H16N2O4/c1-22-13-2-3-15-14(9-13)11(10-19-15)4-6-18-17(21)16-8-12(20)5-7-23-16/h2-3,5,7-10,19H,4,6H2,1H3,(H,18,21)

Isomeric SMILES

COC1=CC2=C(C=C1)NC=C2CCNC(=O)C3=CC(=O)C=CO3

Alternate CAS

946846-83-9

PubChem CID

24815904

MeSH Entry Terms

N-(2-(5-methoxy-indol-3-yl)-ethyl)-4-oxo-4H-pyran-2-carboxamide;Neu-P11;piromelatine

Molecular Weight

312.32

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Class Indoles and derivatives
      • Subclass Indoles

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Class: Indoles and derivatives
• Subclass: Indoles
• Intermediate Tree Nodes: Not available
• Direct Parent: 3-alkylindoles
• Alternative Parents: Anisoles 2-heteroaryl carboxamides Pyranones and derivatives Alkyl aryl ethers Substituted pyrroles Heteroaromatic compounds Secondary carboxylic acid amides Cyclic ketones Oxacyclic compounds Azacyclic compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: 3-alkylindole - 2-heteroaryl carboxamide - Anisole - Phenol ether - Alkyl aryl ether - Pyranone - Pyran - Benzenoid - Substituted pyrrole - Heteroaromatic compound - Pyrrole - Carboxamide group - Cyclic ketone - Secondary carboxylic acid amide - Carboxylic acid derivative - Ether - Oxacycle - Azacycle - Organonitrogen compound - Organic oxygen compound - Organic nitrogen compound - Organooxygen compound - Hydrocarbon derivative - Organic oxide - Aromatic heteropolycyclic compound
• Description: This compound belongs to the class of organic compounds known as 3-alkylindoles. These are compounds containing an indole moiety that carries an alkyl chain at the 3-position.
• 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

Mechanisms of Action

Chemical and Physical Properties

• Solubility: DMSO : 250 mg/mL (800.46 mM; Need ultrasonic)
• Sensitivity: Light sensitive
• Molecular Weight: 312.320 g/mol
• XLogP3: 1.700
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 5
• Exact Mass: 312.111 Da
• Monoisotopic Mass: 312.111 Da
• Topological Polar Surface Area: 80.400 Ų
• Heavy Atom Count: 23
• Formal Charge: 0
• Complexity: 529.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• 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