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

CAS: 332943-64-3 Cat. No.: V649263 Formule: C₁₉H₂₀F₃N₃O Poids moléculaire: 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

Vue d’ensemble

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

Synonymes

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

Spécifications et pureté

Moligand™,≥98%

Conditions de stockage de stockage

Store at -20°C

Expédié en

Ice chest + Ice pads

Ce produit nécessite l'expédition en chaîne froide. Les services terrestres et autres services économiques ne sont pas disponibles.

Grade

Moligand™

Type d'action

INHIBITOR

Pureté

≥98%

Noms et identifiants

• Sourires canoniques: 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
• Isomères SMILES: C1CCC2=C(C1)C(=NN2CC(=O)N3CCCC4=CC=CC=C43)C(F)(F)F
• PubChem CID: 1129704
• Poids moléculaire: 363.38

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Classe: 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
• Description: 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

Propriétés chimiques et physiques

• Solubilité: DMSO : 20 mg/mL (55.04 mM; ultrasonic and warming and heat to 60°C)
• Poids moléculaire: 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