vamotinib - Moligand™, ≥98% , Inhibitor of ABL proto-oncogene 1; non-receptor tyrosine kinase, CAS No.1416241-23-0, Inhibitor of ABL proto-oncogene 1; non-receptor tyrosine kinase

CAS: 1416241-23-0 Cat. No.: V614705 Peso molecular: 532.56

GRADE & PURITY Moligand™, ≥98%

Synonyms

I8C3R768IZ | US9522910, Table 1 Compound 1: 4-methyl-N-{4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl}-3-(2-{[1,2,4]triazolo[4,3-a]pyridin-3-yl}ethynyl)benzamide | HY-147414 | SCHEMBL15789568 | GTPL9792 | UNII-I8C3R768IZ | vamotinib [INN] |

Storage

Protected from light,Store at -20°C,Argon charged

Shipped In

Ice chest + Ice pads

Descripción general

Vamotinib (PF-114) is a specific tyrosine kinase inhibitor with antiproliferative and antitumour activity.Vamotinib inhibits the phosphorylation of BCR/ABL and BCR/ABL-T315I, which promotes apoptosis. Vamotinib is used to study drug-resistant Philadelphia chromosome-positive (Ph+) leukaemia and Alzheimer's disease.

Specifications

Sinónimos

I8C3R768IZ | US9522910, Table 1 Compound 1: 4-methyl-N-{4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl}-3-(2-{[1, 2, 4]triazolo[4, 3-a]pyridin-3-yl}ethynyl)benzamide | HY-147414 | SCHEMBL15789568 | GTPL9792 | UNII-I8C3R768IZ | vamotinib [INN] |

Especificaciones y pureza

Moligand™, ≥98%

Condiciones de almacenamiento de almacenamiento

Protected from light, Store at -20°C, Argon charged

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

Mecanismo de acción

Inhibitor of ABL proto-oncogene 1; non-receptor tyrosine kinase

Pureza

≥98%

Nombres e identificadores

• Sonrisas canónicas: CN1CCN(CC1)Cc1ccc(cc1C(F)(F)F)NC(=O)c1ccc(c(c1)C#Cc1nnc2n1cccc2)C
• IUPAC Name: 4-methyl-N-{4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl}-3-(2-{[1,2,4]triazolo[4,3-a]pyridin-3-yl}ethynyl)benzamide
• InChIKey: SLIVDYMORZGPLW-UHFFFAOYSA-N
• INCHI: 1S/C29H27F3N6O/c1-20-6-7-22(17-21(20)9-11-27-35-34-26-5-3-4-12-38(26)27)28(39)33-24-10-8-23(25(18-24)29(30,31)32)19-37-15-13-36(2)14-16-37/h3-8,10,12,17-18H,13-16,19H2,1-2H3,(H,33,39)
• Isómeros SMILES: CC1=C(C=C(C=C1)C(=O)NC2=CC(=C(C=C2)CN3CCN(CC3)C)C(F)(F)F)C#CC4=NN=C5N4C=CC=C5
• Peso molecular: 532.56

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Clase Benzene and substituted derivatives
      • Subclass Anilides
        • Level5 Aromatic anilides
          • Level6 Benzanilides

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Clase: Benzene and substituted derivatives
• Subclass: Anilides
• Intermediate Tree Nodes: Aromatic anilides
• Direct Parent: Benzanilides
• Alternative Parents: Trifluoromethylbenzenes p-Toluamides Triazolopyridines Benzamides Phenylmethylamines Benzoyl derivatives Benzylamines Aralkylamines N-methylpiperazines Pyridines and derivatives Triazoles Heteroaromatic compounds Amino acids and derivatives Trialkylamines Secondary carboxylic acid amides Azacyclic compounds Organooxygen compounds Alkyl fluorides Organofluorides Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Benzanilide - Trifluoromethylbenzene - Benzamide - Benzoic acid or derivatives - P-toluamide - Toluamide - Triazolopyridine - Phenylmethylamine - Benzoyl - Benzylamine - Toluene - N-methylpiperazine - N-alkylpiperazine - Aralkylamine - Piperazine - Pyridine - 1,4-diazinane - Heteroaromatic compound - 1,2,4-triazole - Triazole - Azole - Amino acid or derivatives - Carboxamide group - Tertiary aliphatic amine - Tertiary amine - Secondary carboxylic acid amide - Organoheterocyclic compound - Carboxylic acid derivative - Azacycle - Organofluoride - Organohalogen compound - Alkyl halide - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organic nitrogen compound - Organonitrogen compound - Organooxygen compound - Amine - Alkyl fluoride - Aromatic heteropolycyclic compound
• Descripción: This compound belongs to the class of organic compounds known as benzanilides. These are aromatic compounds containing an anilide group in which the carboxamide group is substituted with a benzene ring. They have the general structure RNC(=O)R', where R,R'= benzene.
• 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

Objetivos asociados (humanos)

ABL1 Tclin Tyrosine-protein kinase ABL1 (1 Activities)

Discover Target: ABL1

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

Mecanismos de acción

Propiedades químicas y físicas

• Solubilidad: 30 mg/mL (56.33 mM)
• Sensibilidad: Light sensitive;Moisture sensitive
• Peso molecular: 532.600 g/mol
• XLogP3: 5.000
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 8
• Rotatable Bond Count: 6
• Exact Mass: 532.22 Da
• Monoisotopic Mass: 532.22 Da
• Topological Polar Surface Area: 65.800 Ų
• Heavy Atom Count: 39
• Formal Charge: 0
• Complexity: 910.000
• 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