LP-922761 - ≥98%(HPLC) , CAS No.1454808-95-7

CAS: 1454808-95-7 Cat. No.: L287650 Formule: C₂₁H₂₆N₆O₃ Poids moléculaire: 410.47

GRADE & PURITY ≥98%(HPLC)

Synonyms

tert-Butyl (2-((3-(4-carbamoylphényl)imidazo[1,2-b]pyridazin-6-yl)amino)éthyl)(méthyl)carbamate

Storage

Conserver à -20°C

Shipped In

Glacière + blocs de glace

Specifications

Synonymes

tert-Butyl (2-((3-(4-carbamoylphényl)imidazo[1,2-b]pyridazin-6-yl)amino)éthyl)(méthyl)carbamate

Spécifications et pureté

≥98%(HPLC)

Mécanismes biochimiques et physiologiques

Inhibiteur puissant de l'AAK1 (valeurs IC50 de 4,8 et 7,6 nM dans les essais enzymatiques et cellulaires, respectivement). Présente une certaine sélectivité pour AAK1 par rapport à BIKE, et ne présente pas d'activité significative au niveau des récepteurs

Conditions de stockage de stockage

Conserver à -20°C

Expédié en

Glacière + blocs de glace

Pureté

≥98%(HPLC)

Noms et identifiants

• Sourires canoniques: CC(C)(C)OC(=O)N(C)CCNC1=NN2C(=NC=C2C3=CC=C(C=C3)C(=O)N)C=C1
• IUPAC Name: tert-butyl N-[2-[[3-(4-carbamoylphenyl)imidazo[1,2-b]pyridazin-6-yl]amino]ethyl]-N-methylcarbamate
• InChIKey: YNQNYIHMAZLJAV-UHFFFAOYSA-N
• INCHI: 1S/C21H26N6O3/c1-21(2,3)30-20(29)26(4)12-11-23-17-9-10-18-24-13-16(27(18)25-17)14-5-7-15(8-6-14)19(22)28/h5-10,13H,11-12H2,1-4H3,(H2,22,28)(H,23,25)
• Isomères SMILES: CC(C)(C)OC(=O)N(C)CCNC1=NN2C(=NC=C2C3=CC=C(C=C3)C(=O)N)C=C1
• Poids moléculaire: 410.47
• Reaxy-Rn: 24089551
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=24089551&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Classe Azoles
      • Subclass Imidazoles
        • Level5 Substituted imidazoles
          • Level6 Phenylimidazoles

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Classe: Azoles
• Subclass: Imidazoles
• Intermediate Tree Nodes: Substituted imidazoles
• Direct Parent: Phenylimidazoles
• Alternative Parents: Benzamides Benzoyl derivatives Aminopyridazines N-substituted imidazoles Imidolactams Heteroaromatic compounds Carbamate esters Primary carboxylic acid amides Azacyclic compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds Amines
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: 5-phenylimidazole - 4-phenylimidazole - Benzamide - Benzoic acid or derivatives - Benzoyl - Aminopyridazine - Imidolactam - Benzenoid - Pyridazine - Monocyclic benzene moiety - N-substituted imidazole - Heteroaromatic compound - Carbamic acid ester - Primary carboxylic acid amide - Carboxamide group - Carboxylic acid derivative - Azacycle - Organic oxide - Carbonyl group - Amine - Organic oxygen compound - Hydrocarbon derivative - Organic nitrogen compound - Organonitrogen compound - Organooxygen compound - Aromatic heteropolycyclic compound
• Description: This compound belongs to the class of organic compounds known as phenylimidazoles. These are polycyclic aromatic compounds containing a benzene ring linked to an imidazole ring through a CC or CN bond.
• 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

Mécanismes d'action

Propriétés chimiques et physiques

• Solubilité: Solvent:DMSO, Max Conc. mg/mL: 20.52, Max Conc. mM: 50
• Poids moléculaire: 410.500 g/mol
• XLogP3: 2.100
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 8
• Exact Mass: 410.207 Da
• Monoisotopic Mass: 410.207 Da
• Topological Polar Surface Area: 115.000 Ų
• Heavy Atom Count: 30
• Formal Charge: 0
• Complexity: 602.000
• 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

Foire aux questions

What is the purity of this product, and how is it determined?

This product is supplied at ≥98% purity, determined by HPLC. Lot-specific values are stated on the Certificate of Analysis.

How should this product be stored?

Store at ?20 °C. Freezer storage is required to maintain the specified shelf life.

How is this product shipped?

This product ships in an insulated container with ice pads. Unpack on arrival and transfer it to the storage condition stated above.

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

The CAS Number is 1454808-95-7, the molecular formula is C21H26N6O3, and the molecular weight is 410.47 g/mol. InChIKey YNQNYIHMAZLJAV-UHFFFAOYSA-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.