MTX-211 - ≥95% , CAS No.1952236-05-3

CAS: 1952236-05-3 Cat. No.: M413511 Summenformel: C₂OH₁₄Cl₂FN₅O₂S Molekulargewicht: 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

Synonyme

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

Spezifikationen & Reinheit

≥95%

Biochemische und physiologische Mechanismen

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

Storage

Store at -20°C

Verschickt in

Ice chest + Ice pads

Dieses Produkt erfordert Kühlkettenversand. Grundversand und andere Economy-Optionen sind nicht verfügbar.

Aktionsart

INHIBITOR

Reinheit

≥95%

Produkteigenschaften

• ALogP: 4.499
• hba_count: 5
• HBD-Zahl: 2
• Rotationsfähige Bindung: 5

Namen und Kennungen

• Pubchem Sid: 488202687
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488202687
• Kanonisches Lächeln: 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)
• Molekulargewicht: 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
    • Klasse Diazanaphthalenes
      • Subclass Benzodiazines
        • Ebene5 Quinazolines
          • Ebene6 Quinazolinamines

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Klasse: 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
• Beschreibung: 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

Chemische und physikalische Eigenschaften

• Löslichkeit: Solubility (25°C) In vitro DMSO: 24 mg/mL (50.17 mM); Water: Insoluble; Ethanol: Insoluble
• DMSO (mg/ml) Maximale Löslichkeit: 24
• DMSO (mM) Maximale Löslichkeit: 50.1745656764159
• Wasser (mg/ml) Maximale Löslichkeit: ＜1
• Molekulargewicht: 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