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 Formula: C₂₂H₂₂ClN₇O₂ Peso molecolare: 451.91 PubChem CID: 135565361

QUALITÀ & PUREZZA ≥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

Panoramica

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

Specifiche

Sinonimi

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

Specifiche e purezza

≥98%

Meccanismi biochimici e fisiologici

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

Condizioni di conservazione di stoccaggio

Store at -20°C

Spedito in

Ice chest + Ice pads

Questo prodotto richiede spedizione a catena fredda. I servizi di terra e altri servizi economici non sono disponibili.

Tipo di azione

ANTAGONIST

Meccanismo d'azione

C-C chemokine receptor type 1 antagonist

Purezza

≥98%

Proprietà del prodotto

ALogP

2.5

Nomi e identificatori

Pubchem Sid

528763703

Sorrisi canonici

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)

Isomeri 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 molecolare

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
• Descrizione: 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

Obiettivi associati (umani)

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

Meccanismi d'azione

Proprietà chimiche e fisiche

• Peso molecolare: 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