VU041 - Moligand™,≥98% , CAS No.332943-64-3

CAS: 332943-64-3 Cat. No.: V649263 Peso molecular: 363.38 PubChem CID: 1129704

GRADE & PURITY Moligand™, ≥98%

Synonyms

1,2,3,4-Tetrahydro-1-[[4,5,6,7-tetrahydro-3-(trifluoromethyl)-1H-indazol-1-yl]acetyl]-quinoline | 1-(3,4-Dihydroquinolin-1(2H)-yl)-2-(3-(trifluoromethyl)-4,5,6,7-tetrahydro-1H-indazol-1-yl)ethan-1-one | VU0048041

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Descripción general

VU041 is a first submicromolar-affinity inhibitor of Anopheles (An.) gambiae and Aedes (Ae.) aegypti inward rectifier potassium 1 (Kir1) channels with IC50 values of 2.5 μM and 1.7 μM, respectively. VU041 inhibits appreciably is mammalian Kir2.1 (IC50 of 12.7 μM), and has less inhibitory effect on mammalian Kir1.1, Kir4.1, Kir6.2/SUR1, and Kir7.1. VU041 also induces impaired Malpighian tubule function.

Specifications

Sinónimos

1, 2, 3, 4-Tetrahydro-1-[[4, 5, 6, 7-tetrahydro-3-(trifluoromethyl)-1H-indazol-1-yl]acetyl]-quinoline | 1-(3, 4-Dihydroquinolin-1(2H)-yl)-2-(3-(trifluoromethyl)-4, 5, 6, 7-tetrahydro-1H-indazol-1-yl)ethan-1-one | VU0048041

Especificaciones y pureza

Moligand™, ≥98%

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

INHIBITOR

Pureza

≥98%

Nombres e identificadores

• Sonrisas canónicas: C1CCC2=C(C1)C(=NN2CC(=O)N3CCCC4=CC=CC=C43)C(F)(F)F
• IUPAC Name: 1-(3,4-dihydro-2H-quinolin-1-yl)-2-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]ethanone
• InChIKey: DLAGRCZUELSZFG-UHFFFAOYSA-N
• INCHI: 1S/C19H20F3N3O/c20-19(21,22)18-14-8-2-4-10-16(14)25(23-18)12-17(26)24-11-5-7-13-6-1-3-9-15(13)24/h1,3,6,9H,2,4-5,7-8,10-12H2
• Isómeros SMILES: C1CCC2=C(C1)C(=NN2CC(=O)N3CCCC4=CC=CC=C43)C(F)(F)F
• PubChem CID: 1129704
• Peso molecular: 363.38

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Clase Quinolines and derivatives
      • Subclass Hydroquinolines

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Clase: Quinolines and derivatives
• Subclass: Hydroquinolines
• Intermediate Tree Nodes: Not available
• Direct Parent: Hydroquinolines
• Alternative Parents: Benzenoids Tertiary carboxylic acid amides Pyrazoles Heteroaromatic compounds Azacyclic compounds Organopnictogen compounds Organonitrogen compounds Organofluorides Organic oxides Hydrocarbon derivatives Carbonyl compounds Alkyl fluorides
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Tetrahydroquinoline - Benzenoid - Azole - Pyrazole - Tertiary carboxylic acid amide - Heteroaromatic compound - Carboxamide group - Carboxylic acid derivative - Azacycle - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Organooxygen compound - Organonitrogen compound - Organofluoride - Organohalogen compound - Organic oxygen compound - Alkyl fluoride - Carbonyl group - Organic nitrogen compound - Alkyl halide - Aromatic heteropolycyclic compound
• Descripción: This compound belongs to the class of organic compounds known as hydroquinolines. These are derivatives of quinoline in which in which at least one double bond in the quinoline moiety are reduced by adding two hydrogen atoms.
• 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

Propiedades químicas y físicas

• Solubilidad: DMSO : 20 mg/mL (55.04 mM; ultrasonic and warming and heat to 60°C)
• Peso molecular: 363.400 g/mol
• XLogP3: 4.000
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 2
• Exact Mass: 363.156 Da
• Monoisotopic Mass: 363.156 Da
• Topological Polar Surface Area: 38.100 Ų
• Heavy Atom Count: 26
• Formal Charge: 0
• Complexity: 527.000
• 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