UNC 0224. - ≥98%(HPLC) , CAS No.1197196-48-7

CAS: 1197196-48-7 Cat. No.: U288828 Formule: C₂₆H₄₃N₇O₂ Poids moléculaire: 485.67 PubChem CID: 44251522

QUALITÉ & PURETÉ ≥98%(HPLC)

Synonyms

BDBM50300041 | XXB19648 | 7-[3-(Diméthylamino)propoxy]-2-(hexahydro-4-méthyl-1H-1,4-diazépine-1-yl)-6-méthoxy-N-(1-méthyl-4-pipéridinyl)-4-quinazolinamine | AKOS024457835 | BS-14469 | C26H43N7O2 | 7-(3-(diméthylamino)propoxy)-6-méthoxy-2-(4-méthyl-1,4-dia

Storage

A conserver entre 2 et 8°C

Shipped In

Glace humide

Spécifications

Synonymes

BDBM50300041 | XXB19648 | 7-[3-(Diméthylamino)propoxy]-2-(hexahydro-4-méthyl-1H-1,4-diazépine-1-yl)-6-méthoxy-N-(1-méthyl-4-pipéridinyl)-4-quinazolinamine | AKOS024457835 | BS-14469 | C26H43N7O2 | 7-(3-(diméthylamino)propoxy)-6-méthoxy-2-(4-méthyl-1,4-dia

Spécifications et pureté

≥98%(HPLC)

Mécanismes biochimiques et physiologiques

Puissant inhibiteur de G9a et de GLP (valeurs IC50 de 15 et 20 nM dans un test ThioGlo, respectivement). Présente une sélectivité >1000 fois pour G9a par rapport à SET7, SET8 et SET9.

Conditions de stockage de stockage

A conserver entre 2 et 8°C

Expédié en

Glace humide

Pureté

≥98%(HPLC)

Noms et identifiants

Pubchem Sid

508811120

Sourires canoniques

CN1CCCN(CC1)C2=NC3=CC(=C(C=C3C(=N2)NC4CCN(CC4)C)OC)OCCCN(C)C

IUPAC Name

7-[3-(dimethylamino)propoxy]-6-methoxy-2-(4-methyl-1,4-diazepan-1-yl)-N-(1-methylpiperidin-4-yl)quinazolin-4-amine

InChIKey

XIVUGRBSBIXXJE-UHFFFAOYSA-N

INCHI

1S/C26H43N7O2/c1-30(2)10-7-17-35-24-19-22-21(18-23(24)34-5)25(27-20-8-13-32(4)14-9-20)29-26(28-22)33-12-6-11-31(3)15-16-33/h18-20H,6-17H2,1-5H3,(H,27,28,29)

Isomères SMILES

CN1CCCN(CC1)C2=NC3=CC(=C(C=C3C(=N2)NC4CCN(CC4)C)OC)OCCCN(C)C

PubChem CID

44251522

Poids moléculaire

485.67

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: Dialkylarylamines Anisoles Secondary alkylarylamines Aminopyrimidines and derivatives Alkyl aryl ethers 1,4-diazepanes Piperidines Imidolactams Heteroaromatic compounds Trialkylamines Azacyclic compounds Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Quinazolinamine - Anisole - Phenol ether - Dialkylarylamine - 1,4-diazepane - Alkyl aryl ether - Aminopyrimidine - Diazepane - Secondary aliphatic/aromatic amine - Imidolactam - Benzenoid - Piperidine - Pyrimidine - Heteroaromatic compound - Tertiary amine - Tertiary aliphatic amine - Ether - Azacycle - Secondary amine - Organooxygen compound - Organonitrogen compound - Amine - Organic nitrogen compound - Organic oxygen compound - Hydrocarbon derivative - 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

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Mécanismes d'action

Propriétés chimiques et physiques

• Solubilité: Solvent:1eq. HCl, Max Conc. mg/mL: 48.57, Max Conc. mM: 100; Solvent:DMSO, Max Conc. mg/mL: 48.57, Max Conc. mM: 100
• Poids moléculaire: 485.700 g/mol
• XLogP3: 3.400
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 9
• Rotatable Bond Count: 9
• Exact Mass: 485.348 Da
• Monoisotopic Mass: 485.348 Da
• Topological Polar Surface Area: 69.200 Ų
• Heavy Atom Count: 35
• Formal Charge: 0
• Complexity: 619.000
• 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