FR260010 - Moligand™, ≥98% , Antagonist of 5-HT 2C receptor, CAS No.374555-75-6, Antagonist of 5-HT 2C receptor

CAS: 374555-75-6 Cat. No.: F610401 Molecular Weight: 353.42 PubChem CID: 9968450

GRADE & PURITY Moligand™, ≥98%

Synonyms

N-[3-(4-methyl-1H-imidazol-1-yl)phenyl]-5H,6H-benzo[h]quinazolin-4-amine | 6SDJ3JV4WB | Q27077738 | N-[3-(4-methyl-1H-imidazol-1-yl)phenyl]-5,6-dihydrobenzo[h]quinazolin-4-amine | FR260010 | 5,6-Dihydro-N-(3-(4-methyl-1H-imidazol-1-yl)phenyl)benzo(H)quina

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Overview

FR260010 is a selective 5-HT2C receptor antagonist, with a Ki value of 1.1 nM.

Specifications

Synonyms

N-[3-(4-methyl-1H-imidazol-1-yl)phenyl]-5H, 6H-benzo[h]quinazolin-4-amine | 6SDJ3JV4WB | Q27077738 | N-[3-(4-methyl-1H-imidazol-1-yl)phenyl]-5, 6-dihydrobenzo[h]quinazolin-4-amine | FR260010 | 5, 6-Dihydro-N-(3-(4-methyl-1H-imidazol-1-yl)phenyl)benzo(H)quina

Specifications & Purity

Moligand™, ≥98%

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

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

Grade

Moligand™

Action Type

ANTAGONIST

Mechanism of action

Antagonist of 5-HT 2C receptor

Purity

≥98%

Names and Identifiers

• Pubchem Sid: 528764488
• Canonical Smiles: Cc1ncn(c1)c1cccc(c1)Nc1ncnc2c1CCc1c2cccc1
• IUPAC Name: N-[3-(4-methyl-1H-imidazol-1-yl)phenyl]-5H,6H-benzo[h]quinazolin-4-amine
• InChIKey: LFKNMCJSJZOQJF-UHFFFAOYSA-N
• INCHI: 1S/C22H19N5/c1-15-12-27(14-25-15)18-7-4-6-17(11-18)26-22-20-10-9-16-5-2-3-8-19(16)21(20)23-13-24-22/h2-8,11-14H,9-10H2,1H3,(H,23,24,26)
• Isomeric SMILES: CC1=CN(C=N1)C2=CC=CC(=C2)NC3=NC=NC4=C3CCC5=CC=CC=C54
• PubChem CID: 9968450
• Molecular Weight: 353.42

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Class Azoles
      • Subclass Imidazoles
        • Level5 Substituted imidazoles
          • Level6 Phenylimidazoles

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Class: Azoles
• Subclass: Imidazoles
• Intermediate Tree Nodes: Substituted imidazoles
• Direct Parent: Phenylimidazoles
• Alternative Parents: Quinazolines Naphthalenes Aniline and substituted anilines Aminopyrimidines and derivatives N-substituted imidazoles Imidolactams Heteroaromatic compounds Azacyclic compounds Hydrocarbon derivatives Amines
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: 1-phenylimidazole - Naphthalene - Quinazoline - Aniline or substituted anilines - Aminopyrimidine - Monocyclic benzene moiety - N-substituted imidazole - Pyrimidine - Benzenoid - Imidolactam - Heteroaromatic compound - Azacycle - Organonitrogen compound - Hydrocarbon derivative - Amine - Organic nitrogen compound - Aromatic heteropolycyclic compound
• Description: This compound belongs to the class of organic compounds known as phenylimidazoles. These are polycyclic aromatic compounds containing a benzene ring linked to an imidazole ring through a CC or CN bond.
• 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)

HTR2C Tclin 5-hydroxytryptamine receptor 2C (1 Activities)

Discover Target: HTR2C

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

Chemical and Physical Properties

• Molecular Weight: 353.400 g/mol
• XLogP3: 4.200
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 3
• Exact Mass: 353.164 Da
• Monoisotopic Mass: 353.164 Da
• Topological Polar Surface Area: 55.600 Ų
• Heavy Atom Count: 27
• Formal Charge: 0
• Complexity: 499.000
• 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