tinlorafenib - Moligand™, ≥98% , Inhibitor of B-Raf proto-oncogene; serine/threonine kinase;Inhibitor of Raf-1 proto-oncogene; serine/threonine kinase, CAS No.2573781-75-4, Inhibitor of B-Raf proto-oncogene; serine/threonine kinase;Inhibitor of Raf-1 proto-oncogene; serine/threonine kinase

CAS: 2573781-75-4 Cat. No.: T614465 Formule: C₁₉H₁₉ClF₂N₄O₃S Poids moléculaire: 456.89

GRADE & PURITY Moligand™, ≥98%

Synonyms

ARRY461 | ARRY-461 | BDBM565133 | UNII-JNJ5N2RH5W | Tinlorafenib | Tinlorafenib [WHO-DD] | JNJ5N2RH5W | 1-Propanesulfonamide, N-(2-chloro-3-((3,4-dihydro-3,5-dimethyl-4-oxo-6-quinazolinyl)amino)-4-fluorophenyl)-3-fluoro- | PF-07284890; ARRY-461 | SCHEMBL2

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Vue d’ensemble

Tinlorafenib (PF-07284890) (compound 10) is an active BRAF kinase inhibitor, with IC50s of 4.25 and 2.7 nM for BRAFV600E/V600K respectively. Tinlorafenib demonstrates CNS penetration and can be used in the research of BRAF-associated malignant and benign tumors of the CNS as well as extracranial malignancies

Specifications

Synonymes

ARRY461 | ARRY-461 | BDBM565133 | UNII-JNJ5N2RH5W | Tinlorafenib | Tinlorafenib [WHO-DD] | JNJ5N2RH5W | 1-Propanesulfonamide, N-(2-chloro-3-((3,4-dihydro-3,5-dimethyl-4-oxo-6-quinazolinyl)amino)-4-fluorophenyl)-3-fluoro- | PF-07284890; ARRY-461 | SCHEMBL2

Spécifications et pureté

Moligand™, ≥98%

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

Mécanisme d'action

Inhibitor of B-Raf proto-oncogene; serine/threonine kinase;Inhibitor of Raf-1 proto-oncogene; serine/threonine kinase

Pureté

≥98%

Noms et identifiants

• Pubchem Sid: 528767507
• Sourires canoniques: Clc1c(ccc(c1Nc1c(c2c(=O)n(cnc2cc1)C)C)F)NS(=O)(=O)CCCF
• InChIKey: VVLVISDSGRHLMB-UHFFFAOYSA-N
• INCHI: 1S/C19H19ClF2N4O3S/c1-11-13(6-7-14-16(11)19(27)26(2)10-23-14)24-18-12(22)4-5-15(17(18)20)25-30(28,29)9-3-8-21/h4-7,10,24-25H,3,8-9H2,1-2H3
• Isomères SMILES: CC1=C(C=CC2=C1C(=O)N(C=N2)C)NC3=C(C=CC(=C3Cl)NS(=O)(=O)CCCF)F
• Poids moléculaire: 456.89

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Classe Diazanaphthalenes
      • Subclass Benzodiazines
        • Level5 Quinazolines
          • Level6 Quinazolinamines

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Classe: Diazanaphthalenes
• Subclass: Benzodiazines
• Intermediate Tree Nodes: Quinazolines
• Direct Parent: Quinazolinamines
• Alternative Parents: Sulfanilides Pyrimidones Fluorobenzenes Chlorobenzenes Sulfonyls Organosulfonic acids and derivatives Heteroaromatic compounds Lactams Secondary amines Azacyclic compounds Organopnictogen compounds Organooxygen compounds Organofluorides Organochlorides Organic oxides Hydrocarbon derivatives Alkyl fluorides
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Quinazolinamine - Sulfanilide - Pyrimidone - Halobenzene - Fluorobenzene - Chlorobenzene - Benzenoid - Pyrimidine - Monocyclic benzene moiety - Heteroaromatic compound - Sulfonyl - Organosulfonic acid or derivatives - Organic sulfonic acid or derivatives - Lactam - Azacycle - Secondary amine - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Organofluoride - Organochloride - Organohalogen compound - Amine - Alkyl halide - Alkyl fluoride - Aromatic heteropolycyclic compound
• Description: This compound belongs to the class of organic compounds known as quinazolinamines. These are heterocyclic aromatic compounds containing a quianazoline moiety substituted by one or more amine groups.
• 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

Cibles associées (humaines)

RAF1 Tclin RAF proto-oncogene serine/threonine-protein kinase (0 Activities)

Discover Target: RAF1

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

BRAF Tclin Serine/threonine-protein kinase B-raf (0 Activities)

Discover Target: BRAF

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

Propriétés chimiques et physiques

• Poids moléculaire: 456.900 g/mol
• XLogP3: 3.200
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 8
• Rotatable Bond Count: 7
• Exact Mass: 456.083 Da
• Monoisotopic Mass: 456.083 Da
• Topological Polar Surface Area: 99.300 Ų
• Heavy Atom Count: 30
• Formal Charge: 0
• Complexity: 751.000
• 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