exarafenib - Moligand™, ≥98% , Inhibitor of Raf-1 proto-oncogene; serine/threonine kinase, CAS No.2639957-39-2, Inhibitor of Raf-1 proto-oncogene; serine/threonine kinase

CAS: 2639957-39-2 Cat. No.: E610261 Peso molecular: 521.58 PubChem CID: 156297592

GRADE & PURITY Moligand™, ≥98%

Synonyms

KIN-2787 | KIN-002787 | RAF/KIN_2787

Storage

Protected from light,Store at -20°C

Shipped In

Ice chest + Ice pads

Descripción general

Exarafenib (RAF/KIN_2787) is an orally-available, selective pan-RAF inhibitor. Exarafenib is effective in RAF-dependent cancers, including all classes of BRAF alterations. Exarafenib suppresses MAPK signaling in RAF-dependent melanoma cell lines. Exarafenib has anticancer activity.

Specifications

Sinónimos

KIN-2787 | KIN-002787 | RAF/KIN_2787

Especificaciones y pureza

Moligand™, ≥98%

Condiciones de almacenamiento de almacenamiento

Protected from light, 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

Mecanismo de acción

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

Pureza

≥98%

Nombres e identificadores

• Sonrisas canónicas: Cc1c(cc(cc1)NC(=O)N1CC[C@H](C1)CC(F)(F)F)c1cc(nc(c1)N1CCOCC1)N[C@H](C)CO
• IUPAC Name: (3S)-N-[3-[2-[[(2R)-1-hydroxypropan-2-yl]amino]-6-morpholin-4-ylpyridin-4-yl]-4-methylphenyl]-3-(2,2,2-trifluoroethyl)pyrrolidine-1-carboxamide
• InChIKey: GZMYLSJUNSCMTD-MOPGFXCFSA-N
• INCHI: 1S/C26H34F3N5O3/c1-17-3-4-21(31-25(36)34-6-5-19(15-34)14-26(27,28)29)13-22(17)20-11-23(30-18(2)16-35)32-24(12-20)33-7-9-37-10-8-33/h3-4,11-13,18-19,35H,5-10,14-16H2,1-2H3,(H,30,32)(H,31,36)/t18-,19+/m1/s1
• Isómeros SMILES: CC1=C(C=C(C=C1)NC(=O)N2CC[C@H](C2)CC(F)(F)F)C3=CC(=NC(=C3)N4CCOCC4)N[C@H](C)CO
• PubChem CID: 156297592
• Peso molecular: 521.58

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Clase Benzene and substituted derivatives
      • Subclass N-phenylureas

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Clase: Benzene and substituted derivatives
• Subclass: N-phenylureas
• Intermediate Tree Nodes: Not available
• Direct Parent: N-phenylureas
• Alternative Parents: Pyrrolidinecarboxamides Polyhalopyridines Dialkylarylamines Secondary alkylarylamines Methylpyridines Hydroxypyridines Aminopyridines and derivatives 2-halopyridines Morpholines Imidolactams Heteroaromatic compounds Organic carbonic acids and derivatives Oxacyclic compounds Dialkyl ethers Azacyclic compounds Organopnictogen compounds Organofluorides Organic oxides Hydrocarbon derivatives Alkyl fluorides Alcohols and polyols
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: N-phenylurea - Polyhalopyridine - Dialkylarylamine - Tertiary aliphatic/aromatic amine - Pyrrolidine-1-carboxamide - Pyrrolidine carboxylic acid or derivatives - 2-halopyridine - Methylpyridine - Hydroxypyridine - Secondary aliphatic/aromatic amine - Aminopyridine - Imidolactam - Pyridine - Oxazinane - Morpholine - Heteroaromatic compound - Pyrrolidine - Tertiary amine - Carbonic acid derivative - Oxacycle - Azacycle - Organoheterocyclic compound - Secondary amine - Ether - Dialkyl ether - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Organofluoride - Organohalogen compound - Amine - Alkyl halide - Alkyl fluoride - Alcohol - Aromatic heteromonocyclic compound
• Descripción: This compound belongs to the class of organic compounds known as n-phenylureas. These are compounds containing a N-phenylurea moiety, which is structurally characterized by a phenyl group linked to one nitrogen atom of a urea group.
• 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)

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)

Propiedades químicas y físicas

• Solubilidad: DMSO: 50 mg/mL (95.86 mM), Sonication is recommended.
• Sensibilidad: Light sensitive;Moisture sensitive
• Peso molecular: 521.600 g/mol
• XLogP3: 4.000
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 9
• Rotatable Bond Count: 7
• Exact Mass: 521.261 Da
• Monoisotopic Mass: 521.261 Da
• Topological Polar Surface Area: 90.000 Ų
• Heavy Atom Count: 37
• Formal Charge: 0
• Complexity: 739.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 2
• 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