RPR121154 - Moligand™ , Antagonist of C5a 1 receptor, CAS No.R613288, Antagonist of C5a 1 receptor

CAS: R613288 Cat. No.: R613288 PubChem CID: 10020451

GRADE & PURITY Moligand™

Synonyms

RPR-121154

Storage

Room temperature

Specifications

Synonyms

RPR-121154

Specifications & Purity

Moligand™

Storage

Room temperature

Grade

Moligand™

Action Type

ANTAGONIST

Mechanism of action

Antagonist of C5a 1 receptor

Names and Identifiers

• Canonical Smiles: CN=C(Nc1ccc(c(c1)c1ccccc1)OCCc1ccccc1)N
• IUPAC Name: 2-methyl-1-[3-phenyl-4-(2-phenylethoxy)phenyl]guanidine
• InChIKey: QXDMVRPQHNFBSZ-UHFFFAOYSA-N
• INCHI: 1S/C22H23N3O/c1-24-22(23)25-19-12-13-21(20(16-19)18-10-6-3-7-11-18)26-15-14-17-8-4-2-5-9-17/h2-13,16H,14-15H2,1H3,(H3,23,24,25)
• Isomeric SMILES: CN=C(N)NC1=CC(=C(C=C1)OCCC2=CC=CC=C2)C3=CC=CC=C3
• PubChem CID: 10020451

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Class: Benzene and substituted derivatives
• Subclass: Biphenyls and derivatives
• Intermediate Tree Nodes: Not available
• Direct Parent: Biphenyls and derivatives
• Alternative Parents: Phenoxy compounds Phenol ethers Alkyl aryl ethers Guanidines Propargyl-type 1,3-dipolar organic compounds Carboximidamides Imines Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Biphenyl - Phenoxy compound - Phenol ether - Alkyl aryl ether - Guanidine - Propargyl-type 1,3-dipolar organic compound - Carboximidamide - Ether - Organic 1,3-dipolar compound - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Imine - Organic nitrogen compound - Organic oxygen compound - Aromatic homomonocyclic compound
• Description: This compound belongs to the class of organic compounds known as biphenyls and derivatives. These are organic compounds containing to benzene rings linked together by a C-C 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)

C5AR1 Tclin C5a anaphylatoxin chemotactic receptor 1 (1 Activities)

Discover Target: C5AR1

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

Mechanisms of Action