GRADE & PURITY Moligand™, ≥98%

Synonyms

CGP 71683 | BDBM50166561 | L000175 | BRD-K31912990-003-01-0 | CGP71683 | cgp-71683a free base | CGP 71683A | E4901JA9JD | BDBM50089038 | UNII-E4901JA9JD | NCGC00165960-01 | BCP25968 | CHEBI:92555 | N-[[4-[[(4-aminoquinazolin-2-yl)amino]methyl]cyclohexyl]m

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Overview

CGP 71683 is a potent and highly selective non-peptide antagonist of the NPY Y(5) receptor in the study of obesity.

Specifications

Synonyms

CGP 71683 | BDBM50166561 | L000175 | BRD-K31912990-003-01-0 | CGP71683 | cgp-71683a free base | CGP 71683A | E4901JA9JD | BDBM50089038 | UNII-E4901JA9JD | NCGC00165960-01 | BCP25968 | CHEBI:92555 | N-[[4-[[(4-aminoquinazolin-2-yl)amino]methyl]cyclohexyl]m

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 Y 5 receptor

Purity

≥98%

Names and Identifiers

• Canonical Smiles: Nc1nc(NCC2CCC(CC2)CNS(=O)(=O)c2cccc3c2cccc3)nc2c1cccc2
• IUPAC Name: N-[[4-[[(4-aminoquinazolin-2-yl)amino]methyl]cyclohexyl]methyl]naphthalene-1-sulfonamide
• InChIKey: UULIGRNKXHCLQN-UHFFFAOYSA-N
• INCHI: 1S/C26H29N5O2S/c27-25-22-9-3-4-10-23(22)30-26(31-25)28-16-18-12-14-19(15-13-18)17-29-34(32,33)24-11-5-7-20-6-1-2-8-21(20)24/h1-11,18-19,29H,12-17H2,(H3,27,28,30,31)
• Isomeric SMILES: C1CC(CCC1CNC2=NC3=CC=CC=C3C(=N2)N)CNS(=O)(=O)C4=CC=CC5=CC=CC=C54
• Alternate CAS: 192322-50-2
• Molecular Weight: 475.61

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Class Naphthalenes
      • Subclass Naphthalene sulfonic acids and derivatives

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Class: Naphthalenes
• Subclass: Naphthalene sulfonic acids and derivatives
• Intermediate Tree Nodes: Not available
• Direct Parent: 1-naphthalene sulfonic acids and derivatives
• Alternative Parents: 1-naphthalene sulfonamides Quinazolinamines Secondary alkylarylamines Aminopyrimidines and derivatives Organosulfonamides Imidolactams Heteroaromatic compounds Aminosulfonyl compounds Azacyclic compounds Primary amines Organopnictogen compounds Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: 1-naphthalene sulfonamide - Naphthalene sulfonamide - 1-naphthalene sulfonic acid or derivatives - Quinazolinamine - Diazanaphthalene - Quinazoline - Aminopyrimidine - Secondary aliphatic/aromatic amine - Pyrimidine - Organosulfonic acid amide - Imidolactam - Organic sulfonic acid or derivatives - Organosulfonic acid or derivatives - Heteroaromatic compound - Sulfonyl - Aminosulfonyl compound - Secondary amine - Azacycle - Organoheterocyclic compound - Organic nitrogen compound - Amine - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Organic oxygen compound - Primary amine - Organonitrogen compound - Organosulfur compound - Aromatic heteropolycyclic compound
• Description: This compound belongs to the class of organic compounds known as 1-naphthalene sulfonic acids and derivatives. These are organic aromatic compounds that contain a naphthalene moiety that carries a sulfonic acid group (or a derivative thereof) at the 1-position. Naphthalene is a bicyclic compound that is made up of two fused 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)

NPY5R Tchem Neuropeptide Y receptor type 5 (1 Activities)

Discover Target: NPY5R

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

Chemical and Physical Properties

• Molecular Weight: 475.600 g/mol
• XLogP3: 5.100
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 7
• Exact Mass: 475.204 Da
• Monoisotopic Mass: 475.204 Da
• Topological Polar Surface Area: 118.000 Ų
• Heavy Atom Count: 34
• Formal Charge: 0
• Complexity: 751.000
• 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