PF-00562271 - ≥97% , CAS No.939791-38-5

CAS: 939791-38-5 Cat. No.: P129811 Formula: C₂₁H₂₀F₃N₇O₃S·C₆H₆O₃S Peso molecolare: 665.66

GRADE & PURITY ≥97%

Synonyms

AC-27465 | AM20090125 | SCHEMBL20471937 | GTPL7332 | METANSULFONAMIDE, N-(3-((((2-((2,3-DIHYDRO-2-OXO-1H-INDOL-5-YL)AMINO)-5-(TRIFLUOROMETHYL)-4-PYRIMIDINYL)AMINO)METHYL)-2-PYRIDINYL)-N-METHYL-, BENZENESULFONATO | PF-562271 benzenesolfonato | N-metil-N-

Storage

Conservare a -20°C

Shipped In

Cassetta del ghiaccio + cuscini per il ghiaccio

Panoramica

PF-00562271 è il sale benzenesolfonato di PF-562271, che è un potente inibitore ATP-competitivo e reversibile di FAK con IC50 di 1,5 nM, ~10 volte meno potente per Pyk2 rispetto a FAK e con una selettività di >100 volte nei confronti di altre protein-chinasi, ad eccezione di alcune CDK.
Un potente inibitore della chinasi di adesione focale (FAK) e della Pyk2.

Specifications

Sinonimi

AC-27465 | AM20090125 | SCHEMBL20471937 | GTPL7332 | METANSULFONAMIDE, N-(3-((((2-((2,3-DIHYDRO-2-OXO-1H-INDOL-5-YL)AMINO)-5-(TRIFLUOROMETHYL)-4-PYRIMIDINYL)AMINO)METHYL)-2-PYRIDINYL)-N-METHYL-, BENZENESULFONATO | PF-562271 benzenesolfonato | N-metil-N-

Specifiche e purezza

≥97%

Meccanismi biochimici e fisiologici

PF-562271 mostra effetti inibitori selettivi sull'attività tirosin-chinasica di FAK (IC50 di 1,5 nM) e Pyk2 (IC50 di 14 nM). In saggi basati su cellule, PF-562271 si dimostra più selettivo per FAK rispetto ad altri bersagli chinasici (IC50 di 5 nM). PF-56

Condizioni di conservazione di stoccaggio

Conservare a -20°C

Spedito in

Cassetta del ghiaccio + cuscini per il ghiaccio

Tipo di azione

INHIBITOR

Purezza

≥97%

Nomi e identificatori

• Pubchem Sid: 528766585
• Sorrisi canonici: CN(C1=C(C=CC=N1)CNC2=NC(=NC=C2C(F)(F)F)NC3=CC4=C(C=C3)NC(=O)C4)S(=O)(=O)C.C1=CC=C(C=C1)S(=O)(=O)O
• IUPAC Name: benzenesulfonic acid;N-methyl-N-[3-[[[2-[(2-oxo-1,3-dihydroindol-5-yl)amino]-5-(trifluoromethyl)pyrimidin-4-yl]amino]methyl]pyridin-2-yl]methanesulfonamide
• InChIKey: LKLWTLXTOVZFAE-UHFFFAOYSA-N
• INCHI: 1S/C21H20F3N7O3S.C6H6O3S/c1-31(35(2,33)34)19-12(4-3-7-25-19)10-26-18-15(21(22,23)24)11-27-20(30-18)28-14-5-6-16-13(8-14)9-17(32)29-16;7-10(8,9)6-4-2-1-3-5-6/h3-8,11H,9-10H2,1-2H3,(H,29,32)(H2,26,27,28,30);1-5H,(H,7,8,9)
• Isomeri SMILES: CN(C1=C(C=CC=N1)CNC2=NC(=NC=C2C(F)(F)F)NC3=CC4=C(C=C3)NC(=O)C4)S(=O)(=O)C.C1=CC=C(C=C1)S(=O)(=O)O
• Peso molecolare: 665.66
• Reaxy-Rn: 21111507
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=21111507&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Classe Benzene and substituted derivatives
      • Subclass Benzenesulfonic acids and derivatives

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Classe: Benzene and substituted derivatives
• Subclass: Benzenesulfonic acids and derivatives
• Intermediate Tree Nodes: Not available
• Direct Parent: Benzenesulfonic acids and derivatives
• Alternative Parents: 1-sulfo,2-unsubstituted aromatic compounds Indolines Benzenesulfonyl compounds Aminopyrimidines and derivatives Pyridines and derivatives Organosulfonamides Organic sulfonamides Imidolactams Organosulfonic acids Aminosulfonyl compounds Heteroaromatic compounds Secondary carboxylic acid amides Lactams Azacyclic compounds Organofluorides Hydrocarbon derivatives Organic oxides Amines Alkyl fluorides Carbonyl compounds
• Molecular Framework: Not available
• Substituents: Benzenesulfonate - Arylsulfonic acid or derivatives - Indole or derivatives - Benzenesulfonyl group - Dihydroindole - 1-sulfo,2-unsubstituted aromatic compound - Aminopyrimidine - Pyridine - Pyrimidine - Organic sulfonic acid amide - Imidolactam - Organosulfonic acid amide - Heteroaromatic compound - Organic sulfonic acid or derivatives - Organosulfonic acid or derivatives - Aminosulfonyl compound - Organosulfonic acid - Sulfonyl - Secondary carboxylic acid amide - Carboxamide group - Lactam - Azacycle - Organoheterocyclic compound - Carboxylic acid derivative - Organic oxygen compound - Organofluoride - Organohalogen compound - Organonitrogen compound - Hydrocarbon derivative - Organic oxide - Organooxygen compound - Organosulfur compound - Carbonyl group - Alkyl halide - Alkyl fluoride - Amine - Organic nitrogen compound - Aromatic heteropolycyclic compound
• Descrizione: This compound belongs to the class of organic compounds known as benzenesulfonic acids and derivatives. These are organic compounds containing a sulfonic acid or a derivative thereof that is linked to a benzene ring.
• 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

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Meccanismi d'azione

Proprietà chimiche e fisiche

• Solubilità: Soluble in DMSO (14 mg/ml at 25 °C), water (<1 mg/ml at 25 °C), and ethanol (<1 mg/ml at 25 °C).
• Peso molecolare: 665.700 g/mol
• Hydrogen Bond Donor Count: 4
• Hydrogen Bond Acceptor Count: 15
• Rotatable Bond Count: 8
• Exact Mass: 665.134 Da
• Monoisotopic Mass: 665.134 Da
• Topological Polar Surface Area: 200.000 Ų
• Heavy Atom Count: 45
• Formal Charge: 0
• Complexity: 1040.000
• 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: 2

XLogP3