NRC-2694 - Moligand™, ≥99% , CAS No.936446-61-6

CAS: 936446-61-6 Cat. No.: N647925 Summenformel: C₂₄H₂₆N₄O₃ Molekulargewicht: 418.49

GRADE & PURITY Moligand™, ≥99%

Synonyms

O898S9836V | N-(3-Ethynylphenyl)-7-methoxy-6-(3-(4-morpholinyl)propoxy)-4-quinazolinamine | HY-19909 | WBKHQQZRHCECKK-UHFFFAOYSA-N | N-(3-ethynylphenyl)-7-methoxy-6-[3-(4-morpholinyl)propoxy]-4-quinazolinamine | SCHEMBL828788 | Q27285472 | 4-Quinazolinami

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Übersicht

NRC-2694 is an epidermal growth factor receptor (EGFR) antagonist with anti-cancer and anti-proliferative properties. NRC-2694 is a click chemistry reagent, it contains an Alkyne group and can undergo copper-catalyzed azide-alkyne cycloaddition (CuAAc) with molecules containing Azide groups.

Specifications

Synonyme

O898S9836V | N-(3-Ethynylphenyl)-7-methoxy-6-(3-(4-morpholinyl)propoxy)-4-quinazolinamine | HY-19909 | WBKHQQZRHCECKK-UHFFFAOYSA-N | N-(3-ethynylphenyl)-7-methoxy-6-[3-(4-morpholinyl)propoxy]-4-quinazolinamine | SCHEMBL828788 | Q27285472 | 4-Quinazolinami

Spezifikationen & Reinheit

Moligand™, ≥99%

Biochemische und physiologische Mechanismen

NRC-2694 is an epidermal growth factor receptor ( EGFR ) antagonist with anti-cancer and anti-proliferative properties.

Storage

Store at -20°C

Verschickt in

Ice chest + Ice pads

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

Note

Moligand™

Aktionsart

ANTAGONIST

Reinheit

≥99%

Namen und Kennungen

• Kanonisches Lächeln: COC1=C(C=C2C(=C1)N=CN=C2NC3=CC=CC(=C3)C#C)OCCCN4CCOCC4
• IUPAC Name: N-(3-ethynylphenyl)-7-methoxy-6-(3-morpholin-4-ylpropoxy)quinazolin-4-amine
• InChIKey: WBKHQQZRHCECKK-UHFFFAOYSA-N
• INCHI: 1S/C24H26N4O3/c1-3-18-6-4-7-19(14-18)27-24-20-15-23(22(29-2)16-21(20)25-17-26-24)31-11-5-8-28-9-12-30-13-10-28/h1,4,6-7,14-17H,5,8-13H2,2H3,(H,25,26,27)
• Isomere SMILES: COC1=C(C=C2C(=C1)N=CN=C2NC3=CC=CC(=C3)C#C)OCCCN4CCOCC4
• Alternative CAS-Nummer: 936446-61-6
• Molekulargewicht: 418.49

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: Anisoles Aniline and substituted anilines Aminopyrimidines and derivatives Alkyl aryl ethers Morpholines Imidolactams Heteroaromatic compounds Trialkylamines Secondary amines Oxacyclic compounds Dialkyl ethers Azacyclic compounds Acetylides Organopnictogen compounds Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Quinazolinamine - Aniline or substituted anilines - Anisole - Aminopyrimidine - Alkyl aryl ether - Imidolactam - Benzenoid - Pyrimidine - Oxazinane - Morpholine - Monocyclic benzene moiety - Heteroaromatic compound - Tertiary aliphatic amine - Tertiary amine - Acetylide - Oxacycle - Azacycle - Secondary amine - Ether - Dialkyl ether - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Hydrocarbon derivative - Organooxygen compound - Organonitrogen 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: DMSO : 250 mg/mL (597.39 mM; Need ultrasonic)
• Molekulargewicht: 418.500 g/mol
• XLogP3: 3.600
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 9
• Exact Mass: 418.2 Da
• Monoisotopic Mass: 418.2 Da
• Topological Polar Surface Area: 68.700 Ų
• Heavy Atom Count: 31
• Formal Charge: 0
• Complexity: 591.000
• 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