CCX354 - ≥98% , C-C chemokine receptor type 1 antagonist, CAS No.1010073-75-2, C-C chemokine receptor type 1 antagonist

CAS: 1010073-75-2 Cat. No.: C647638 Peso molecular: 451.91 PubChem CID: 135565361

GRADE & PURITY ≥98%

Synonyms

ZIMLRKWQDLVPEK-UHFFFAOYSA-N | CCR1 antagonist 1 | MS-28213 | 1359144-02-7 | GSK2941266 | GSK-2941266 | SCHEMBL1638749 | 1010073-75-2 | CCX354 | CCX-354 | Ethanone, 1-(4-(4-chloro-3-methoxyphenyl)-1-piperazinyl)-2-(3-(1H-imidazol-2-yl)-1H-pyrazolo(3,4-b)py

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Descripción general

CCX354 is an antagonist of CCR1 , with anti-inflammatory activity.

In Vitro

CCX354 shows potent activities in the chemotaxis assay, with IC 50 < 100 nM. MCE has not independently confirmed the accuracy of these methods. They are for reference only.

In Vivo

In vivo, CCX354 has in vivo anti-inflammatory activity and has superior pharmacokinetic properties . MCE has not independently confirmed the accuracy of these methods. They are for reference only.

Form:Solid

IC50& Target:CCR1

Specifications

Sinónimos

ZIMLRKWQDLVPEK-UHFFFAOYSA-N | CCR1 antagonist 1 | MS-28213 | 1359144-02-7 | GSK2941266 | GSK-2941266 | SCHEMBL1638749 | 1010073-75-2 | CCX354 | CCX-354 | Ethanone, 1-(4-(4-chloro-3-methoxyphenyl)-1-piperazinyl)-2-(3-(1H-imidazol-2-yl)-1H-pyrazolo(3, 4-b)py

Especificaciones y pureza

≥98%

Mecanismos bioquímicos y fisiológicos

CCX354 is an antagonist of CCR1 , with anti-inflammatory activity.

Condiciones de almacenamiento de almacenamiento

Store at -20°C

Enviado en

Ice chest + Ice pads

Este producto requiere envío en cadena de frío. Los servicios terrestres y otros servicios económicos no están disponibles.

Tipo de acción

ANTAGONIST

Mecanismo de acción

C-C chemokine receptor type 1 antagonist

Pureza

≥98%

Propiedades del producto

• ALogP: 2.5

Nombres e identificadores

• Sonrisas canónicas: COC1=C(C=CC(=C1)N2CCN(CC2)C(=O)CN3C4=C(C=CC=N4)C(=N3)C5=NC=CN5)Cl
• IUPAC Name: 1-[4-(4-chloro-3-methoxyphenyl)piperazin-1-yl]-2-[3-(1H-imidazol-2-yl)pyrazolo[3,4-b]pyridin-1-yl]ethanone
• InChIKey: ZIMLRKWQDLVPEK-UHFFFAOYSA-N
• INCHI: 1S/C22H22ClN7O2/c1-32-18-13-15(4-5-17(18)23)28-9-11-29(12-10-28)19(31)14-30-22-16(3-2-6-26-22)20(27-30)21-24-7-8-25-21/h2-8,13H,9-12,14H2,1H3,(H,24,25)
• Isómeros SMILES: COC1=C(C=CC(=C1)N2CCN(CC2)C(=O)CN3C4=C(C=CC=N4)C(=N3)C5=NC=CN5)Cl
• CAS alternativo: 1359144-02-7,1010073-75-2
• PubChem CID: 135565361
• Peso molecular: 451.91

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Clase Diazinanes
      • Subclass Piperazines

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Clase: Diazinanes
• Subclass: Piperazines
• Intermediate Tree Nodes: Not available
• Direct Parent: Phenylpiperazines
• Alternative Parents: N-arylpiperazines Methoxyanilines Pyrazolopyridines Aminophenyl ethers Dialkylarylamines Anisoles Methoxybenzenes Phenoxy compounds Chlorobenzenes Alkyl aryl ethers Pyridines and derivatives Aryl chlorides Tertiary carboxylic acid amides Imidazoles Pyrazoles Heteroaromatic compounds Amino acids and derivatives Azacyclic compounds Carbonyl compounds Hydrocarbon derivatives Organic oxides Organochlorides Organopnictogen compounds
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Phenylpiperazine - N-arylpiperazine - Pyrazolopyridine - Aminophenyl ether - Methoxyaniline - Anisole - Phenol ether - Phenoxy compound - Tertiary aliphatic/aromatic amine - Dialkylarylamine - Aniline or substituted anilines - Methoxybenzene - Chlorobenzene - Alkyl aryl ether - Halobenzene - Aryl halide - Benzenoid - Aryl chloride - Monocyclic benzene moiety - Pyridine - Heteroaromatic compound - Azole - Tertiary carboxylic acid amide - Imidazole - Pyrazole - Carboxamide group - Amino acid or derivatives - Tertiary amine - Carboxylic acid derivative - Azacycle - Ether - Organic nitrogen compound - Organohalogen compound - Organochloride - Carbonyl group - Organic oxide - Hydrocarbon derivative - Organic oxygen compound - Organopnictogen compound - Organonitrogen compound - Organooxygen compound - Amine - Aromatic heteropolycyclic compound
• Descripción: This compound belongs to the class of organic compounds known as phenylpiperazines. These are compounds containing a phenylpiperazine skeleton, which consists of a piperazine bound to a phenyl 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

Objetivos asociados (humanos)

CCR1 Tchem C-C chemokine receptor type 1 (2 Activities)

Discover Target: CCR1

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

CCR1 Tchem C-C chemokine receptor type 1 (1730 Activities)

Discover Target: CCR1

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Mecanismos de acción

Propiedades químicas y físicas

• Peso molecular: 451.900 g/mol
• XLogP3: 2.500
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 5
• Exact Mass: 451.152 Da
• Monoisotopic Mass: 451.152 Da
• Topological Polar Surface Area: 92.200 Ų
• Heavy Atom Count: 32
• Formal Charge: 0
• Complexity: 650.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 1