BAMB-4 - Moligand™,≥99% , CAS No.891025-25-5

CAS: 891025-25-5 Cat. No.: B647905 Peso molecular: 252.27 PubChem CID: 8087347

GRADE & PURITY Moligand™, ≥99%

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Descripción general

BAMB-4 (ITPKA-IN-C14) is a specific and membrane-permeable ITPKA inhibitor. BAMB-4 has high stability and membrane permeability and against the inositol-1,4,5-trisphosphate (InsP3) kinase activity of inositol-1,4,5-trisphosphate-3-kinase A (ITPKA) with an IC 50 value of 20 μM. BAMB-4 can be used for the research of metastasis of lung cancer

In Vitro

BAMB-4 (0.3-40 μM) has ITPKA inhibiton effect with an IC 50 value of 37 μM. BAMB-4 (40 μM) inhibits InsP3 kinase activity with an IC 50 value of 20 μM. BAMB-4 (100 μM, overnight) has high specificity and the high cellular uptake. BAMP-4 (0, 10, 20 and 40 μM) shows increased K m and decreased V max. BAMP-4 (0-30 μM) is a mixed type inhibitor with respect to ATP and InsP3 and does not only affect binding of ATP but also binding of InsP3，which affects turnover of two substrate exhibit a higher inhibition specifcity. MCE has not independently confirmed the accuracy of these methods. They are for reference only.

Form:Solid

IC50& Target:IC50: 37 μM (ITPKA),20 μM (InsP3 kinase)

Specifications

Especificaciones y pureza

Moligand™, ≥99%

Mecanismos bioquímicos y fisiológicos

BAMB-4 (ITPKA-IN-C14) is a specific and membrane-permeable ITPKA inhibitor. BAMB-4 has high stability and membrane permeability and against the inositol-1, 4, 5-trisphosphate (InsP3) kinase activity of inositol-1, 4, 5-trisphosphate-3-kinase A (ITPKA) with a

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

≥99%

Nombres e identificadores

• Sonrisas canónicas: CC1=CC=C(C=C1)C(=O)NC2=NOC3=CC=CC=C32
• IUPAC Name: N-(1,2-benzoxazol-3-yl)-4-methylbenzamide
• InChIKey: IEPCQLHHUYRTEY-UHFFFAOYSA-N
• INCHI: 1S/C15H12N2O2/c1-10-6-8-11(9-7-10)15(18)16-14-12-4-2-3-5-13(12)19-17-14/h2-9H,1H3,(H,16,17,18)
• Isómeros SMILES: CC1=CC=C(C=C1)C(=O)NC2=NOC3=CC=CC=C32
• PubChem CID: 8087347
• Peso molecular: 252.27

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Clase Benzisoxazoles

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Clase: Benzisoxazoles
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Benzisoxazoles
• Alternative Parents: p-Toluamides Benzamides Benzoyl derivatives Imidolactams Isoxazoles Heteroaromatic compounds Secondary carboxylic acid amides Oxacyclic compounds Azacyclic compounds Organopnictogen compounds Organooxygen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Benzamide - Benzisoxazole - Benzoic acid or derivatives - P-toluamide - Toluamide - Benzoyl - Toluene - Imidolactam - Benzenoid - Monocyclic benzene moiety - Heteroaromatic compound - Azole - Isoxazole - Secondary carboxylic acid amide - Carboxamide group - Oxacycle - Azacycle - Carboxylic acid derivative - Hydrocarbon derivative - Organonitrogen compound - Organic oxide - Organopnictogen compound - Organic oxygen compound - Organooxygen compound - Organic nitrogen compound - Aromatic heteropolycyclic compound
• Descripción: This compound belongs to the class of organic compounds known as benzisoxazoles. These are aromatic compounds containing a benzene ring fused to an isoxazole ring. Isoxazole is five-membered ring with three carbon atoms, and an oxygen atom next to a nitrogen atom.
• 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 : ≥ 40 mg/mL (158.56 mM)
• Peso molecular: 252.270 g/mol
• XLogP3: 3.200
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 252.09 Da
• Monoisotopic Mass: 252.09 Da
• Topological Polar Surface Area: 55.100 Ų
• Heavy Atom Count: 19
• Formal Charge: 0
• Complexity: 326.000
• 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