RO116-4875/608 - Moligand™ , Antagonist of CCR3, CAS No.R613233, Antagonist of CCR3

CAS: R613233 Cat. No.: R613233 PubChem CID: 10098735

QUALITÀ & PUREZZA Moligand™

Storage

Room temperature

Specifiche

Specifiche e purezza

Moligand™

Condizioni di conservazione di stoccaggio

Room temperature

Grado

Moligand™

Tipo di azione

ANTAGONIST

Meccanismo d'azione

Antagonist of CCR3

Nomi e identificatori

Sorrisi canonici

COc1cc(NC(=O)N[C@H](C(C)C)CN2CCC(CC2)Cc2ccc(c(c2)Cl)Cl)cc(c1OC)OC

IUPAC Name

1-[(2R)-1-[4-[(3,4-dichlorophenyl)methyl]piperidin-1-yl]-3-methylbutan-2-yl]-3-(3,4,5-trimethoxyphenyl)urea

InChIKey

FQHUEFRHSWYBQS-QHCPKHFHSA-N

INCHI

1S/C27H37Cl2N3O4/c1-17(2)23(31-27(33)30-20-14-24(34-3)26(36-5)25(15-20)35-4)16-32-10-8-18(9-11-32)12-19-6-7-21(28)22(29)13-19/h6-7,13-15,17-18,23H,8-12,16H2,1-5H3,(H2,30,31,33)/t23-/m0/s1

Isomeri SMILES

CC(C)[C@H](CN1CCC(CC1)CC2=CC(=C(C=C2)Cl)Cl)NC(=O)NC3=CC(=C(C(=C3)OC)OC)OC

PubChem CID

10098735

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Classe Piperidines
      • Subclass Benzylpiperidines

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Classe: Piperidines
• Subclass: Benzylpiperidines
• Intermediate Tree Nodes: Not available
• Direct Parent: 4-benzylpiperidines
• Alternative Parents: N-phenylureas Methoxyanilines Phenoxy compounds Anisoles Methoxybenzenes Dichlorobenzenes Alkyl aryl ethers Aralkylamines Aryl chlorides Ureas Trialkylamines Azacyclic compounds Carbonyl compounds Hydrocarbon derivatives Organic oxides Organochlorides
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: 4-benzylpiperidine - N-phenylurea - Methoxyaniline - Anisole - Phenoxy compound - 1,2-dichlorobenzene - Phenol ether - Methoxybenzene - Alkyl aryl ether - Chlorobenzene - Halobenzene - Aralkylamine - Benzenoid - Aryl chloride - Aryl halide - Monocyclic benzene moiety - Tertiary aliphatic amine - Tertiary amine - Urea - Azacycle - Ether - Hydrocarbon derivative - Organic oxygen compound - Amine - Carbonyl group - Organohalogen compound - Organochloride - Organonitrogen compound - Organooxygen compound - Organic nitrogen compound - Organic oxide - Aromatic heteromonocyclic compound
• Descrizione: This compound belongs to the class of organic compounds known as 4-benzylpiperidines. These are organic compounds containing a benzyl group attached to the 4-position of a piperidine.
• 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

Obiettivi associati (umani)

CCR3 Tchem C-C chemokine receptor type 3 (1 Activities)

Discover Target: CCR3

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