RTI-118 - Moligand™ , Antagonist of NPS receptor, CAS No.R613322, Antagonist of NPS receptor

CAS: R613322 Cat. No.: R613322 PubChem CID: 23121947

GRADE & PURITY Moligand™

Storage

Room temperature

Specifications

Specifications & Purity

Moligand™

Storage

Room temperature

Grade

Moligand™

Action Type

ANTAGONIST

Mechanism of action

Antagonist of NPS receptor

Names and Identifiers

• Canonical Smiles: O=C(N1CCN2C(C1)C(OC2=O)(c1ccccc1)c1ccccc1)NCCN1CCCCC1
• IUPAC Name: 3-oxo-1,1-di(phenyl)-N-(2-piperidin-1-ylethyl)-5,6,8,8a-tetrahydro-[1,3]oxazolo[4,3-c]pyrazine-7-carboxamide
• InChIKey: JJDDRYMIPIEXKX-UHFFFAOYSA-N
• INCHI: 1S/C26H32N4O3/c31-24(27-14-17-28-15-8-3-9-16-28)29-18-19-30-23(20-29)26(33-25(30)32,21-10-4-1-5-11-21)22-12-6-2-7-13-22/h1-2,4-7,10-13,23H,3,8-9,14-20H2,(H,27,31)
• Isomeric SMILES: C1CCN(CC1)CCNC(=O)N2CCN3C(C2)C(OC3=O)(C4=CC=CC=C4)C5=CC=CC=C5
• PubChem CID: 23121947

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Class Benzene and substituted derivatives
      • Subclass Diphenylmethanes

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Class: Benzene and substituted derivatives
• Subclass: Diphenylmethanes
• Intermediate Tree Nodes: Not available
• Direct Parent: Diphenylmethanes
• Alternative Parents: Piperazine carboxamides Piperidines Oxazolidinones Carbamate esters Ureas Trialkylamines Oxacyclic compounds Azacyclic compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Diphenylmethane - Piperazine-1-carboxamide - 1,4-diazinane - Oxazolidinone - Piperazine - Piperidine - Oxazolidine - Carbamic acid ester - Urea - Tertiary aliphatic amine - Tertiary amine - Oxacycle - Azacycle - Organoheterocyclic compound - Hydrocarbon derivative - Organic oxide - Organooxygen compound - Organonitrogen compound - Organic oxygen compound - Organic nitrogen compound - Amine - Carbonyl group - Aromatic heteropolycyclic compound
• Description: This compound belongs to the class of organic compounds known as diphenylmethanes. These are compounds containing a diphenylmethane moiety, which consists of a methane wherein two hydrogen atoms are replaced by two phenyl groups.
• 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)

NPSR1 Tchem Neuropeptide S receptor (0 Activities)

Discover Target: NPSR1

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

Mechanisms of Action