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 Fórmula: C₂₂H₂₂ClN₇O₂ Peso molecular: 451.91 PubChem CID: 135565361

GRAU & PUREZA ≥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

Visão geral

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

Especificações

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

Especificações e pureza

≥98%

Mecanismos bioquímicos e fisiológicos

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

Condições de armazenamento de armazenamento

Store at -20°C

Enviado em

Ice chest + Ice pads

Este produto requer transporte de cadeia fria. Serviços terrestres e outros serviços econômicos não estão disponíveis.

Tipo de ação

ANTAGONIST

Mecanismo de ação

C-C chemokine receptor type 1 antagonist

Pureza

≥98%

Propriedades do produto

ALogP

2.5

Nomes e identificadores

Pubchem Sid

528763703

Sorrisos canónicos

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)

SMILES isoméricas

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
    • Classe Diazinanes
      • Subclass Piperazines

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Classe: 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
• Descrição: 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

Alvos associados (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 ação

Propriedades químicas e 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