R-PSOP - Moligand™ , Antagonist of NMU2 receptor, CAS No.R613290, Antagonist of NMU2 receptor

CAS: R613290 Cat. No.: R613290 PubChem CID: 73755058

GRADE & PURITY Moligand™

Storage

Room temperature

Specifications

Specifications & Purity

Moligand™

Storage

Room temperature

Grade

Moligand™

Action Type

ANTAGONIST

Mechanism of action

Antagonist of NMU2 receptor

Names and Identifiers

• Canonical Smiles: O=C(Nc1ccccc1)Nc1cnc2c(c1)C[C@]1(O2)CN2CC[C@H]1CC2
• IUPAC Name: 1-phenyl-3-[(3R)-spiro[1-azabicyclo[2.2.2]octane-3,2'-3H-furo[2,3-b]pyridine]-5'-yl]urea
• InChIKey: BUOWEYLLAFLKCW-FQEVSTJZSA-N
• INCHI: 1S/C20H22N4O2/c25-19(22-16-4-2-1-3-5-16)23-17-10-14-11-20(26-18(14)21-12-17)13-24-8-6-15(20)7-9-24/h1-5,10,12,15H,6-9,11,13H2,(H2,22,23,25)/t20-/m0/s1
• Isomeric SMILES: C1CN2CCC1[C@@]3(C2)CC4=C(O3)N=CC(=C4)NC(=O)NC5=CC=CC=C5
• PubChem CID: 73755058

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Class Benzene and substituted derivatives
      • Subclass N-phenylureas

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Class: Benzene and substituted derivatives
• Subclass: N-phenylureas
• Intermediate Tree Nodes: Not available
• Direct Parent: N-phenylureas
• Alternative Parents: Quinuclidines Aralkylamines Alkyl aryl ethers Pyridines and derivatives Piperidines Heteroaromatic compounds Ureas Trialkylamines Oxacyclic compounds Azacyclic compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: N-phenylurea - Quinuclidine - Alkyl aryl ether - Aralkylamine - Piperidine - Pyridine - Heteroaromatic compound - Tertiary amine - Tertiary aliphatic amine - Urea - Oxacycle - Ether - Organoheterocyclic compound - Azacycle - Amine - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Organooxygen compound - Organonitrogen compound - Organic oxygen compound - Carbonyl group - Aromatic heteropolycyclic compound
• Description: This compound belongs to the class of organic compounds known as n-phenylureas. These are compounds containing a N-phenylurea moiety, which is structurally characterized by a phenyl group linked to one nitrogen atom of a urea group.
• 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)

NMUR2 Tchem Neuromedin-U receptor 2 (1 Activities)

Discover Target: NMUR2

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