MTX-211 - ≥95% , CAS No.1952236-05-3

CAS: 1952236-05-3 Cat. No.: M413511 Fórmula: C₂OH₁₄Cl₂FN₅O₂S Peso molecular: 478.33

GRADE & PURITY ≥95%

Synonyms

Methanesulfonamide,N-​[2-​chloro-​5-​[4-​[(3-​chloro-​4-​fluorophenyl)​amino]​-​6-​quinazolinyl]​-​3-​pyridinyl]​- | Mol 211

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Specifications

Sinónimos

Methanesulfonamide,N-​[2-​chloro-​5-​[4-​[(3-​chloro-​4-​fluorophenyl)​amino]​-​6-​quinazolinyl]​-​3-​pyridinyl]​- | Mol 211

Especificações e pureza

≥95%

Mecanismos bioquímicos e fisiológicos

MTX-211 is a first-in-class dual inhibitor of PI3K and EGFR kinase.

Condições de armazenamento de armazenamento

Store at -20°C

Enviado em

Ice chest + Ice pads

Este produto requer transporte de cadeia fria. Serviços terrestres e outros serviços econômicos não estão disponíveis.

Tipo de ação

INHIBITOR

Pureza

≥95%

Propriedades do produto

• ALogP: 4.499
• hba_count: 5
• Contagem HBD: 2
• Ligação rotativa: 5

Nomes e identificadores

• Pubchem Sid: 488202687
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488202687
• Sorrisos canónicos: CS(=O)(=O)NC1=C(N=CC(=C1)C2=CC3=C(C=C2)N=CN=C3NC4=CC(=C(C=C4)F)Cl)Cl
• IUPAC Name: N-[2-chloro-5-[4-(3-chloro-4-fluoroanilino)quinazolin-6-yl]pyridin-3-yl]methanesulfonamide
• InChIKey: GUYKCXXNIKKSBC-UHFFFAOYSA-N
• INCHI: 1S/C20H14Cl2FN5O2S/c1-31(29,30)28-18-7-12(9-24-19(18)22)11-2-5-17-14(6-11)20(26-10-25-17)27-13-3-4-16(23)15(21)8-13/h2-10,28H,1H3,(H,25,26,27)
• Peso molecular: 478.33
• Reaxy-Rn: 29618840
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=29618840&ln=

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: Polyhalopyridines Methylpyridines Fluorobenzenes Chlorobenzenes 2-halopyridines Pyrimidines and pyrimidine derivatives Imidolactams Sulfonyls Organosulfonic acids and derivatives Heteroaromatic compounds Imidoyl chlorides Vinyl fluorides Vinyl chlorides Secondary amines Propargyl-type 1,3-dipolar organic compounds Fluoroalkenes Chloroalkenes Carboximidamides Azacyclic compounds Amidines Organopnictogen compounds Organofluorides Organochlorides Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Quinazolinamine - Polyhalopyridine - 2-halopyridine - Methylpyridine - Halobenzene - Fluorobenzene - Chlorobenzene - Imidolactam - Benzenoid - Pyrimidine - Pyridine - Monocyclic benzene moiety - Heteroaromatic compound - Sulfonyl - Organosulfonic acid or derivatives - Organic sulfonic acid or derivatives - Imidoyl halide - Imidoyl chloride - Azacycle - Fluoroalkene - Chloroalkene - Haloalkene - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Carboximidamide - Vinyl halide - Vinyl fluoride - Vinyl chloride - Secondary amine - Amidine - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organosulfur compound - Organonitrogen compound - Organofluoride - Organochloride - Organohalogen compound - Amine - Aromatic heteropolycyclic compound
• Descrição: 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

Propriedades químicas e físicas

• Solubilidade: Solubility (25°C) In vitro DMSO: 24 mg/mL (50.17 mM); Water: Insoluble; Ethanol: Insoluble
• DMSO (mg/mL) Solubilidade máxima: 24
• DMSO (mM) Solubilidade máxima: 50.1745656764159
• Água (mg/mL) Solubilidade máxima: ＜1
• Peso molecular: 478.300 g/mol
• XLogP3: 4.600
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 8
• Rotatable Bond Count: 5
• Exact Mass: 477.023 Da
• Monoisotopic Mass: 477.023 Da
• Topological Polar Surface Area: 105.000 Ų
• Heavy Atom Count: 31
• Formal Charge: 0
• Complexity: 714.000
• 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