INCB3284 - Moligand™ , Antagonist of CCR2, CAS No.887401-92-5, Antagonist of CCR2

CAS: 887401-92-5 Cat. No.: I611055 Fórmula: C₂₆H₃₁F₃N₄O₄ Peso molecular: 520.54

GRADE & PURITY Moligand™, ≥98%

Synonyms

NCGC00370911-04 | SCHEMBL14281986 | MS-29653 | 0W6K09GAQB | 5(6H)-Quinazolinone, 2-amino-7-(2-furanyl)-7,8-dihydro- | NXZNYBUBXWWKCP-LDJSFYOUSA-N | HY-15450A | INCB003284 | INCB3284 free base | SCHEMBL5058151 | Benzamide, N-(2-(((3R)-1-(trans-4-hydroxy-4-

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Visão geral

INCB 3284 is a potent, selective and orally bioavailable human CCR2 antagonist, inhibiting monocyte chemoattractant protein-1 binding to hCCR2, with an IC50 of 3.7 nM. INCB 3284 can be used in the research of acute liver failure.

Specifications

Sinónimos

NCGC00370911-04 | SCHEMBL14281986 | MS-29653 | 0W6K09GAQB | 5(6H)-Quinazolinone, 2-amino-7-(2-furanyl)-7,8-dihydro- | NXZNYBUBXWWKCP-LDJSFYOUSA-N | HY-15450A | INCB003284 | INCB3284 free base | SCHEMBL5058151 | Benzamide, N-(2-(((3R)-1-(trans-4-hydroxy-4-

Especificações e pureza

Moligand™, ≥98%

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.

Grau

Moligand™

Tipo de ação

ANTAGONIST

Mecanismo de ação

Antagonist of CCR2

Pureza

≥98%

Nomes e identificadores

• Sorrisos canónicos: COc1ccc(cn1)C1(O)CCC(CC1)N1CC[C@H](C1)NC(=O)CNC(=O)c1cccc(c1)C(F)(F)F
• IUPAC Name: N-[2-[[(3R)-1-[4-hydroxy-4-(6-methoxypyridin-3-yl)cyclohexyl]pyrrolidin-3-yl]amino]-2-oxoethyl]-3-(trifluoromethyl)benzamide
• InChIKey: NXZNYBUBXWWKCP-JMOWIOHXSA-N
• INCHI: 1S/C26H31F3N4O4/c1-37-23-6-5-19(14-30-23)25(36)10-7-21(8-11-25)33-12-9-20(16-33)32-22(34)15-31-24(35)17-3-2-4-18(13-17)26(27,28)29/h2-6,13-14,20-21,36H,7-12,15-16H2,1H3,(H,31,35)(H,32,34)/t20-,21?,25?/m1/s1
• SMILES isoméricas: COC1=NC=C(C=C1)C2(CCC(CC2)N3CC[C@H](C3)NC(=O)CNC(=O)C4=CC(=CC=C4)C(F)(F)F)O
• CAS alternativo: 887401-93-6
• Peso molecular: 520.54

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Classe Benzene and substituted derivatives
      • Subclass Benzoic acids and derivatives
        • Level5 Benzamides
          • Level6 Hippuric acids and derivatives

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Classe: Benzene and substituted derivatives
• Subclass: Benzoic acids and derivatives
• Intermediate Tree Nodes: Benzamides
• Direct Parent: Hippuric acids and derivatives
• Alternative Parents: N-acyl-alpha amino acids and derivatives Alpha amino acid amides Trifluoromethylbenzenes Benzoyl derivatives Cyclohexylamines Cyclohexanols Aralkylamines Alkyl aryl ethers Pyridines and derivatives N-alkylpyrrolidines Tertiary alcohols Heteroaromatic compounds Trialkylamines Secondary carboxylic acid amides Cyclic alcohols and derivatives Azacyclic compounds Organopnictogen compounds Organofluorides Organic oxides Hydrocarbon derivatives Carbonyl compounds Alkyl fluorides
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: N-acyl-alpha amino acid or derivatives - Hippuric acid or derivatives - Alpha-amino acid amide - Trifluoromethylbenzene - Alpha-amino acid or derivatives - N-substituted-alpha-amino acid - Benzoyl - Aralkylamine - Cyclohexylamine - Cyclohexanol - Alkyl aryl ether - N-alkylpyrrolidine - Pyridine - Heteroaromatic compound - Tertiary alcohol - Pyrrolidine - Cyclic alcohol - Tertiary aliphatic amine - Tertiary amine - Secondary carboxylic acid amide - Carboxamide group - Amino acid or derivatives - Azacycle - Organoheterocyclic compound - Ether - Carboxylic acid derivative - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Organofluoride - Organohalogen compound - Carbonyl group - Amine - Alkyl halide - Alkyl fluoride - Alcohol - Aromatic heteromonocyclic compound
• Descrição: This compound belongs to the class of organic compounds known as hippuric acids and derivatives. These are compounds containing a hippuric acid or a derivative, with a structure characterized the presence of a benzoyl group linked to the N-terminal of a glycine.
• 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)

CCR2 Tchem C-C chemokine receptor type 2 (1 Activities)

Discover Target: CCR2

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

Propriedades químicas e físicas

• Peso molecular: 520.500 g/mol
• XLogP3: 2.800
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 9
• Rotatable Bond Count: 7
• Exact Mass: 520.23 Da
• Monoisotopic Mass: 520.23 Da
• Topological Polar Surface Area: 104.000 Ų
• Heavy Atom Count: 37
• Formal Charge: 0
• Complexity: 790.000
• 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

Perguntas frequentes

How should this product be stored?

Store at room temperature.

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.

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

The CAS Number is 887401-92-5. InChIKey NXZNYBUBXWWKCP-JMOWIOHXSA-N.

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.