CCR2 antagonist 3 - ≥98% , CAS No.1380100-86-6

CAS: 1380100-86-6 Cat. No.: C647230 Summenformel: C₁₇H₂₅FN₂O₂ Molekulargewicht: 308.39 PubChem CID: 57345449

GRADE & PURITY ≥98%

Synonyms

GTPL7704 | SCHEMBL9106608 | AZD 2927 | 4-fluoro-N-[(2S)-1-(3-hydroxyazetidin-1-yl)-3-methylbutan-2-yl]-N,3-dimethylbenzamide | MS-24474 | Benzamide, 4-fluoro-N-[(1S)-1-[(3-hydroxy-1-azetidinyl)methyl]-2-methylpropyl]-N,3-dimethyl- | AZD 2927 [WHO-DD] | CC

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Übersicht

CCR2 antagonist 3 is a chemokine receptor 2 (CCR2) antagonist.

Form:Solid

IC50& Target:CCR2

Specifications

Synonyme

GTPL7704 | SCHEMBL9106608 | AZD 2927 | 4-fluoro-N-[(2S)-1-(3-hydroxyazetidin-1-yl)-3-methylbutan-2-yl]-N,3-dimethylbenzamide | MS-24474 | Benzamide, 4-fluoro-N-[(1S)-1-[(3-hydroxy-1-azetidinyl)methyl]-2-methylpropyl]-N,3-dimethyl- | AZD 2927 [WHO-DD] | CC

Spezifikationen & Reinheit

≥98%

Biochemische und physiologische Mechanismen

CCR2 antagonist 3 is a chemokine receptor 2 (CCR2) antagonist.

Storage

Store at -20°C

Verschickt in

Ice chest + Ice pads

Dieses Produkt erfordert Kühlkettenversand. Grundversand und andere Economy-Optionen sind nicht verfügbar.

Aktionsart

ANTAGONIST

Reinheit

≥98%

Namen und Kennungen

• Kanonisches Lächeln: CC1=C(C=CC(=C1)C(=O)N(C)C(CN2CC(C2)O)C(C)C)F
• IUPAC Name: 4-fluoro-N-[(2S)-1-(3-hydroxyazetidin-1-yl)-3-methylbutan-2-yl]-N,3-dimethylbenzamide
• InChIKey: GAHPWXLXWUVMIV-MRXNPFEDSA-N
• INCHI: 1S/C17H25FN2O2/c1-11(2)16(10-20-8-14(21)9-20)19(4)17(22)13-5-6-15(18)12(3)7-13/h5-7,11,14,16,21H,8-10H2,1-4H3/t16-/m1/s1
• Isomere SMILES: CC1=C(C=CC(=C1)C(=O)N(C)[C@H](CN2CC(C2)O)C(C)C)F
• Alternative CAS-Nummer: 1380100-86-6
• PubChem CID: 57345449
• MeSH-Eintrag: 4-fluoro-N-(1-(3-hydroxyazetidin-1-yl)-3-methylbutan-2-yl)-N,3-dimethylbenzamide;AZD2927
• Molekulargewicht: 308.39

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Klasse Benzene and substituted derivatives
      • Subclass Toluenes
        • Ebene5 Toluamides
          • Ebene6 m-Toluamides
            • Ebene7 N,N-dialkyl-m-toluamides

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Klasse: Benzene and substituted derivatives
• Subclass: Toluenes
• Intermediate Tree Nodes: Toluamides - m-Toluamides
• Direct Parent: N,N-dialkyl-m-toluamides
• Alternative Parents: 4-halobenzoic acids and derivatives Benzamides Benzoyl derivatives Fluorobenzenes Aryl fluorides Tertiary carboxylic acid amides Trialkylamines Secondary alcohols Azetidines Amino acids and derivatives 1,2-aminoalcohols Azacyclic compounds Organofluorides Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: N,n-dialkyl-m-toluamide - 4-halobenzoic acid or derivatives - Halobenzoic acid or derivatives - Benzamide - Benzoic acid or derivatives - Benzoyl - Fluorobenzene - Halobenzene - Aryl fluoride - Aryl halide - Tertiary carboxylic acid amide - Tertiary amine - Secondary alcohol - Tertiary aliphatic amine - Amino acid or derivatives - Azetidine - 1,2-aminoalcohol - Carboxamide group - Azacycle - Organoheterocyclic compound - Carboxylic acid derivative - Organic nitrogen compound - Organic oxygen compound - Alcohol - Organohalogen compound - Organofluoride - Hydrocarbon derivative - Organic oxide - Organonitrogen compound - Amine - Organooxygen compound - Aromatic heteromonocyclic compound
• Beschreibung: This compound belongs to the class of organic compounds known as n,n-dialkyl-m-toluamides. These are aromatic that contain a m-toluamide, where the carboxamide group is N- substituted with two alkyl chains.
• 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

Zugehörige Ziele (menschlich)

KCNJ3 Tchem G protein-activated inward rectifier potassium channel 1 (0 Activities)

Discover Target: KCNJ3

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

KCNJ5 Tchem G protein-activated inward rectifier potassium channel 4 (0 Activities)

Discover Target: KCNJ5

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

Chemische und physikalische Eigenschaften

• Löslichkeit: DMSO : 100 mg/mL (324.26 mM; Need ultrasonic)
• Molekulargewicht: 308.400 g/mol
• XLogP3: 2.400
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 5
• Exact Mass: 308.19 Da
• Monoisotopic Mass: 308.19 Da
• Topological Polar Surface Area: 43.800 Ų
• Heavy Atom Count: 22
• Formal Charge: 0
• Complexity: 385.000
• 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