Mps-BAY2a - Moligand™, ≥98% , CAS No.1382477-96-4

CAS: 1382477-96-4 Cat. No.: M649747 Formule: C₂₉H₂₈N₆O Poids moléculaire: 476.57 PubChem CID: 57381882

GRADE & PURITY Moligand™, ≥98%

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Vue d’ensemble

Mps-BAY2a is a monopolar spindle 1 (MPS1) inhibitor with an IC 50 of 1 nM against human MPS1 . Mps-BAY2a induces mitotic aberrations and apoptosis in cancer cells

Form:Solid

IC50& Target:IC 50 : 1 nM (human MPS1), 2.6 nM (rat MPS1), 9 nM (mouse MPS1)

Specifications

Spécifications et pureté

Moligand™, ≥98%

Mécanismes biochimiques et physiologiques

Mps-BAY2a is a monopolar spindle 1 (MPS1) inhibitor with an IC 50 of 1 nM against human MPS1 . Mps-BAY2a induces mitotic aberrations and apoptosis in cancer cells.

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: CC(C)CNC1=NC(=CN2C1=NC=C2C3=CC=C(C=C3)C(=O)NC4CC4)C5=C6C=CC=NC6=CC=C5
• IUPAC Name: N-cyclopropyl-4-[8-(2-methylpropylamino)-6-quinolin-5-ylimidazo[1,2-a]pyrazin-3-yl]benzamide
• InChIKey: MDYKTGNHXNTATG-UHFFFAOYSA-N
• INCHI: 1S/C29H28N6O/c1-18(2)15-31-27-28-32-16-26(19-8-10-20(11-9-19)29(36)33-21-12-13-21)35(28)17-25(34-27)23-5-3-7-24-22(23)6-4-14-30-24/h3-11,14,16-18,21H,12-13,15H2,1-2H3,(H,31,34)(H,33,36)
• Isomères SMILES: CC(C)CNC1=NC(=CN2C1=NC=C2C3=CC=C(C=C3)C(=O)NC4CC4)C5=C6C=CC=NC6=CC=C5
• PubChem CID: 57381882
• Poids moléculaire: 476.57

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: Quinolines and derivatives Benzamides Imidazopyrazines Benzoyl derivatives Aminopyrazines Secondary alkylarylamines Pyridines and derivatives Imidolactams N-substituted imidazoles Heteroaromatic compounds Amino acids and derivatives Secondary carboxylic acid amides Azacyclic compounds Hydrocarbon derivatives Organooxygen compounds Organic oxides
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: 5-phenylimidazole - 4-phenylimidazole - Quinoline - Benzamide - Benzoic acid or derivatives - Imidazopyrazine - Benzoyl - Aminopyrazine - Secondary aliphatic/aromatic amine - Monocyclic benzene moiety - N-substituted imidazole - Pyrazine - Pyridine - Imidolactam - Benzenoid - Heteroaromatic compound - Amino acid or derivatives - Carboxamide group - Secondary carboxylic acid amide - Azacycle - Carboxylic acid derivative - Secondary amine - Organooxygen compound - Organonitrogen compound - Hydrocarbon derivative - Organic oxide - Organic nitrogen compound - Organic oxygen compound - Amine - 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

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Mécanismes d'action

Propriétés chimiques et physiques

• Solubilité: DMSO : 10 mg/mL (20.98 mM; ultrasonic and warming and heat to 80°C)
• Poids moléculaire: 476.600 g/mol
• XLogP3: 5.800
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 7
• Exact Mass: 476.232 Da
• Monoisotopic Mass: 476.232 Da
• Topological Polar Surface Area: 84.200 Ų
• Heavy Atom Count: 36
• Formal Charge: 0
• Complexity: 750.000
• 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