FLX475 - Moligand™ , Antagonist of CCR4, CAS No.F610361, Antagonist of CCR4

CAS: F610361 Cat. No.: F610361 PubChem CID: 134210715

GRADE & PURITY Moligand™

Synonyms

2174938-78-2 | example 43 [WO2018022992A1] | Tivumecirnon | EX-A6867 | 1-Piperidineethanol, 3-(1-(1-((1R)-1-(2,4-dichlorophenyl)ethyl)-3-(trifluoromethyl)-1H-pyrazolo(3,4-b)pyrazin-6-yl)-3-azetidinyl)-, (3R)- | GTPL12153 | UNII-R1T69T65FJ | HY-148494 | AK

Storage

Room temperature

Specifications

Synonyms

2174938-78-2 | example 43 [WO2018022992A1] | Tivumecirnon | EX-A6867 | 1-Piperidineethanol, 3-(1-(1-((1R)-1-(2, 4-dichlorophenyl)ethyl)-3-(trifluoromethyl)-1H-pyrazolo(3, 4-b)pyrazin-6-yl)-3-azetidinyl)-, (3R)- | GTPL12153 | UNII-R1T69T65FJ | HY-148494 | AK

Specifications & Purity

Moligand™

Storage

Room temperature

Grade

Moligand™

Action Type

ANTAGONIST

Mechanism of action

Antagonist of CCR4

Names and Identifiers

• Canonical Smiles: C[C@H](c1c(cc(cc1)Cl)Cl)n1c2nc(cnc2c(n1)C(F)(F)F)N1CC(C1)[C@H]1CCCN(C1)CCO
• IUPAC Name: 2-[(3R)-3-[1-[1-[(1R)-1-(2,4-dichlorophenyl)ethyl]-3-(trifluoromethyl)pyrazolo[3,4-b]pyrazin-6-yl]azetidin-3-yl]piperidin-1-yl]ethanol
• InChIKey: AKSVALRPYDVQBS-CABCVRRESA-N
• INCHI: 1S/C24H27Cl2F3N6O/c1-14(18-5-4-17(25)9-19(18)26)35-23-21(22(32-35)24(27,28)29)30-10-20(31-23)34-12-16(13-34)15-3-2-6-33(11-15)7-8-36/h4-5,9-10,14-16,36H,2-3,6-8,11-13H2,1H3/t14-,15+/m1/s1
• Isomeric SMILES: C[C@H](C1=C(C=C(C=C1)Cl)Cl)N2C3=NC(=CN=C3C(=N2)C(F)(F)F)N4CC(C4)[C@H]5CCCN(C5)CCO
• PubChem CID: 134210715

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic nitrogen compounds
    • Class Organonitrogen compounds
      • Subclass Amines
        • Level5 Tertiary amines
          • Level6 Tertiary alkylarylamines
            • Level7 Dialkylarylamines

• Kingdom: Organic compounds
• Superclass: Organic nitrogen compounds
• Class: Organonitrogen compounds
• Subclass: Amines
• Intermediate Tree Nodes: Tertiary amines - Tertiary alkylarylamines
• Direct Parent: Dialkylarylamines
• Alternative Parents: Chlorobenzenes Aminopyrazines Piperidines Imidolactams Secondary ketimines Pyrazolines Heteroaromatic compounds Azoles Trialkylamines Azetidines 1,2-aminoalcohols Vinyl chlorides Propargyl-type 1,3-dipolar organic compounds Chloroalkenes Azacyclic compounds Amidines Organopnictogen compounds Organofluorides Organochlorides Hydrocarbon derivatives Alkyl fluorides Alcohols and polyols
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Dialkylarylamine - Halobenzene - Chlorobenzene - Aminopyrazine - Imidolactam - Benzenoid - Pyrazine - Piperidine - Monocyclic benzene moiety - Heteroaromatic compound - Secondary ketimine - Pyrazoline - Azole - Tertiary aliphatic amine - Ketimine - Azetidine - 1,2-aminoalcohol - Azacycle - Chloroalkene - Haloalkene - Organoheterocyclic compound - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Vinyl halide - Vinyl chloride - Amidine - Alkanolamine - Organic oxygen compound - Organopnictogen compound - Hydrocarbon derivative - Organooxygen compound - Organofluoride - Organochloride - Organohalogen compound - Imine - Alkyl halide - Alkyl fluoride - Alcohol - Aromatic heteropolycyclic compound
• Description: This compound belongs to the class of organic compounds known as dialkylarylamines. These are aliphatic aromatic amines in which the amino group is linked to two aliphatic chains and one aromatic 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)

CCR4 Tclin C-C chemokine receptor type 4 (0 Activities)

Discover Target: CCR4

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