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

CAS: 936446-61-6 Cat. No.: N647925 Formule: C₂₄H₂₆N₄O₃ Poids moléculaire: 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

Vue d’ensemble

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

Synonymes

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

Spécifications et pureté

Moligand™, ≥99%

Mécanismes biochimiques et physiologiques

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

Conditions de stockage de stockage

Store at -20°C

Expédié en

Ice chest + Ice pads

Ce produit nécessite l'expédition en chaîne froide. Les services terrestres et autres services économiques ne sont pas disponibles.

Grade

Moligand™

Type d'action

ANTAGONIST

Pureté

≥99%

Noms et identifiants

Sourires canoniques

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)

Isomères SMILES

COC1=C(C=C2C(=C1)N=CN=C2NC3=CC=CC(=C3)C#C)OCCCN4CCOCC4

CAS alternatif

936446-61-6

Poids moléculaire

418.49

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: 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
• Description: 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

Propriétés chimiques et physiques

• Solubilité: DMSO : 250 mg/mL (597.39 mM; Need ultrasonic)
• Poids moléculaire: 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