lazucirnon - Moligand™ , Antagonist of CCR3, CAS No.1251528-23-0, Antagonist of CCR3

CAS: 1251528-23-0 Cat. No.: L611461 PubChem CID: 59534386

GRADE & PURITY Moligand™

Synonyms

N-Vinylcaprolactam; 1-Ethenylazepan-2-one; 1-Vinylhexahydro-2H-azepin-2-one; 1-Ethenylhexahydro-2H-azepin-2-one | US8742115, 11 | 4-Pyridinecarboxamide, 2-((((2R)-1-(1-((4-chloro-3-methylphenyl)methyl)-4-piperidinyl)-5-oxo-2-pyrrolidinyl)carbonyl)amino)

Storage

Room temperature

Specifications

Sinonimi

N-Vinylcaprolactam; 1-Ethenylazepan-2-one; 1-Vinylhexahydro-2H-azepin-2-one; 1-Ethenylhexahydro-2H-azepin-2-one | US8742115, 11 | 4-Pyridinecarboxamide, 2-((((2R)-1-(1-((4-chloro-3-methylphenyl)methyl)-4-piperidinyl)-5-oxo-2-pyrrolidinyl)carbonyl)amino)

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: O=C([C@H]1CCC(=O)N1C1CCN(CC1)Cc1ccc(c(c1)C)Cl)Nc1nc(C)cc(c1)C(=O)N(C)C
• IUPAC Name: 2-[[(2R)-1-[1-[(4-chloro-3-methylphenyl)methyl]piperidin-4-yl]-5-oxopyrrolidine-2-carbonyl]amino]-N,N,6-trimethylpyridine-4-carboxamide
• InChIKey: DWKNOLCXIFYNFV-HSZRJFAPSA-N
• INCHI: 1S/C27H34ClN5O3/c1-17-13-19(5-6-22(17)28)16-32-11-9-21(10-12-32)33-23(7-8-25(33)34)26(35)30-24-15-20(14-18(2)29-24)27(36)31(3)4/h5-6,13-15,21,23H,7-12,16H2,1-4H3,(H,29,30,35)/t23-/m1/s1
• Isomeri SMILES: CC1=CC(=CC(=N1)NC(=O)[C@H]2CCC(=O)N2C3CCN(CC3)CC4=CC(=C(C=C4)Cl)C)C(=O)N(C)C
• PubChem CID: 59534386

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: N-benzylpiperidines
• Alternative Parents: Proline and derivatives Alpha amino acid amides Pyridinecarboxamides Benzylamines N-arylamides Phenylmethylamines Pyrrolidinecarboxamides Aralkylamines Toluenes Chlorobenzenes Methylpyridines N-alkylpyrrolidines Imidolactams Aryl chlorides Pyrrolidine-2-ones Tertiary carboxylic acid amides Heteroaromatic compounds Lactams Trialkylamines Secondary carboxylic acid amides Azacyclic compounds Hydrocarbon derivatives Carbonyl compounds Organic oxides Organochlorides
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Proline or derivatives - N-benzylpiperidine - Alpha-amino acid amide - Alpha-amino acid or derivatives - Pyridinecarboxamide - Pyridine carboxylic acid or derivatives - Benzylamine - Phenylmethylamine - N-arylamide - Pyrrolidine carboxylic acid or derivatives - Pyrrolidine-2-carboxamide - Methylpyridine - Chlorobenzene - Halobenzene - Aralkylamine - Toluene - Aryl chloride - Aryl halide - Monocyclic benzene moiety - Imidolactam - Benzenoid - N-alkylpyrrolidine - Pyridine - Pyrrolidone - 2-pyrrolidone - Pyrrolidine - Tertiary carboxylic acid amide - Heteroaromatic compound - Tertiary amine - Amino acid or derivatives - Secondary carboxylic acid amide - Tertiary aliphatic amine - Carboxamide group - Lactam - Azacycle - Carboxylic acid derivative - Carbonyl group - Organic nitrogen compound - Organic oxygen compound - Organohalogen compound - Organochloride - Organonitrogen compound - Amine - Organic oxide - Organooxygen compound - Hydrocarbon derivative - Aromatic heteromonocyclic compound
• Descrizione: This compound belongs to the class of organic compounds known as n-benzylpiperidines. These are heterocyclic Compounds containing a piperidine ring conjugated to a benzyl group through one nitrogen ring atom.
• 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)

Meccanismi d'azione

Proprietà chimiche e fisiche

• Peso molecolare: 512.000 g/mol
• XLogP3: 2.900
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 6
• Exact Mass: 511.235 Da
• Monoisotopic Mass: 511.235 Da
• Topological Polar Surface Area: 85.900 Ų
• Heavy Atom Count: 36
• Formal Charge: 0
• Complexity: 802.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 1
• 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

Domande frequenti

What are the CAS number, molecular formula and molecular weight?

The CAS Number is 1251528-23-0. InChIKey DWKNOLCXIFYNFV-HSZRJFAPSA-N.

What is Moligand??

Moligand? is one of Aladdin Scientific's premium product lines, formulated for high-purity applications across multiple workflows. Compared to standard grades in the same workflow, Moligand? products typically offer tighter specifications, more rigorous QC, and stronger lot-to-lot consistency.

How should this product be stored?

Store at room temperature.

What documentation is provided?

Available product documentation, including Certificates of Analysis (COA), Safety Data Sheets (SDS), and specification sheets, is shown in the product document area. Document availability and access follow the current site policy.