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

CAS: 1382477-96-4 Cat. No.: M649747 Formula: C₂₉H₂₈N₆O Peso molecolare: 476.57 PubChem CID: 57381882

GRADE & PURITY Moligand™, ≥98%

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Panoramica

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

Specifiche e purezza

Moligand™, ≥98%

Meccanismi biochimici e fisiologici

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.

Condizioni di conservazione di stoccaggio

Store at -20°C

Spedito in

Ice chest + Ice pads

Questo prodotto richiede spedizione a catena fredda. I servizi di terra e altri servizi economici non sono disponibili.

Grado

Moligand™

Tipo di azione

INHIBITOR

Purezza

≥98%

Nomi e identificatori

• Sorrisi canonici: 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)
• Isomeri SMILES: CC(C)CNC1=NC(=CN2C1=NC=C2C3=CC=C(C=C3)C(=O)NC4CC4)C5=C6C=CC=NC6=CC=C5
• PubChem CID: 57381882
• Peso molecolare: 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
• Descrizione: 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

Obiettivi associati (umani)

TTK Tchem Dual specificity protein kinase TTK (3 Activities)

Discover Target: TTK

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

TTK Tchem Dual specificity protein kinase TTK (2978 Activities)

Discover Target: TTK

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Obiettivi associati (non umani)

Hdac6 Histone deacetylase 6 (222 Activities)

Discover Target: Hdac6

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

rep Replicase polyprotein 1ab (378 Activities)

Discover Target: rep

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Meccanismi d'azione

Proprietà chimiche e fisiche

• Solubilità: DMSO : 10 mg/mL (20.98 mM; ultrasonic and warming and heat to 80°C)
• Peso molecolare: 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