INCB3344，Antagonist of CCR2 - Moligand™, ≥98% , Antagonist of CCR2, CAS No.1262238-11-8, Antagonist of CCR2

CAS: 1262238-11-8 Cat. No.: I124873 Peso molecular: 577.59

GRADE & PURITY Moligand™, ≥98%

Synonyms

IDI1_001120 | MZEOSVPWMSEFPW-XYCDVDSTSA-N | rel-N-[2-[[(3R,4R)-1-[cis-4-(1,3-Benzodioxol-5-yl)-4-hydroxycyclohexyl]-4-ethoxy-3-pyrrolidinyl]amino]-2-oxoethyl]-3-(trifluoromethyl)benzamide | INCB 3344 | INCB-3344 | N-(2-(((3R,4R)-1-(trans-4-(Benzo[d][1,3]d

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Specifications

Sinónimos

IDI1_001120 | MZEOSVPWMSEFPW-XYCDVDSTSA-N | rel-N-[2-[[(3R, 4R)-1-[cis-4-(1, 3-Benzodioxol-5-yl)-4-hydroxycyclohexyl]-4-ethoxy-3-pyrrolidinyl]amino]-2-oxoethyl]-3-(trifluoromethyl)benzamide | INCB 3344 | INCB-3344 | N-(2-(((3R, 4R)-1-(trans-4-(Benzo[d][1, 3]d

Especificaciones y pureza

Moligand™, ≥98%

Mecanismos bioquímicos y fisiológicos

INCB3344 is a potent and selective small molecule CCR2 chemokine receptor antagonist. INCB3344 is useful for anti chronic inflammatory diseases

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.

Grado

Moligand™

Tipo de acción

ANTAGONIST

Mecanismo de acción

Antagonist of CCR2

Pureza

≥98%

Nombres e identificadores

• Sonrisas canónicas: CCOC1CN(CC1NC(=O)CNC(=O)C2=CC(=CC=C2)C(F)(F)F)C3CCC(CC3)(C4=CC5=C(C=C4)OCO5)O
• IUPAC Name: N-[2-[[(3S,4S)-1-[4-(1,3-benzodioxol-5-yl)-4-hydroxycyclohexyl]-4-ethoxypyrrolidin-3-yl]amino]-2-oxoethyl]-3-(trifluoromethyl)benzamide
• InChIKey: MZEOSVPWMSEFPW-XYCDVDSTSA-N
• INCHI: 1S/C29H34F3N3O6/c1-2-39-25-16-35(21-8-10-28(38,11-9-21)19-6-7-23-24(13-19)41-17-40-23)15-22(25)34-26(36)14-33-27(37)18-4-3-5-20(12-18)29(30,31)32/h3-7,12-13,21-22,25,38H,2,8-11,14-17H2,1H3,(H,33,37)(H,34,36)/t21?,22-,25-,28?/m0/s1
• Isómeros SMILES: CCO[C@H]1CN(C[C@@H]1NC(=O)CNC(=O)C2=CC(=CC=C2)C(F)(F)F)C3CCC(CC3)(C4=CC5=C(C=C4)OCO5)O
• CAS alternativo: 709018-37-1
• Peso molecular: 577.59
• Reaxy-Rn: 31230669
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=31230669&ln=

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Clase: 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 Benzodioxoles Benzoyl derivatives Aralkylamines Cyclohexanols Cyclohexylamines N-alkylpyrrolidines Tertiary alcohols Trialkylamines Secondary carboxylic acid amides Cyclic alcohols and derivatives Acetals Oxacyclic compounds Azacyclic compounds Dialkyl ethers Organofluorides Alkyl fluorides Organic oxides Carbonyl compounds Hydrocarbon derivatives Organopnictogen compounds
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Hippuric acid or derivatives - N-acyl-alpha amino acid or derivatives - Alpha-amino acid amide - N-substituted-alpha-amino acid - Alpha-amino acid or derivatives - Trifluoromethylbenzene - Benzodioxole - Benzoyl - Aralkylamine - Cyclohexanol - Cyclohexylamine - N-alkylpyrrolidine - Cyclic alcohol - Tertiary alcohol - Pyrrolidine - Amino acid or derivatives - Carboxamide group - Tertiary aliphatic amine - Tertiary amine - Secondary carboxylic acid amide - Oxacycle - Acetal - Ether - Dialkyl ether - Azacycle - Carboxylic acid derivative - Organoheterocyclic compound - Organic nitrogen compound - Alkyl fluoride - Alcohol - Carbonyl group - Alkyl halide - Organic oxide - Hydrocarbon derivative - Amine - Organopnictogen compound - Organic oxygen compound - Organohalogen compound - Organofluoride - Organonitrogen compound - Organooxygen compound - Aromatic heteropolycyclic compound
• Descripción: 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

Objetivos asociados (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)

CCL2 Tchem C-C motif chemokine 2 (4 Activities)

Discover Target: CCL2

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

Propiedades químicas y físicas

• Solubilidad: DMSO
• Peso molecular: 577.600 g/mol
• XLogP3: 3.300
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 10
• Rotatable Bond Count: 8
• Exact Mass: 577.24 Da
• Monoisotopic Mass: 577.24 Da
• Topological Polar Surface Area: 109.000 Ų
• Heavy Atom Count: 41
• Formal Charge: 0
• Complexity: 915.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 2
• 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