EBE-A22 - 10mM in DMSO , CAS No.229476-53-3

CAS: 229476-53-3 Cat. No.: E422730 Fórmula: C₁₇H₁₆BrN₃O₂ Peso molecular: 374.23

CALIDAD & PUREZA 10mM in DMSO

Synonyms

EBE-A 22;EBE A22; EBEA22 | MS-26039 | N-(3-bromophenyl)-6,7-dimethoxy-N-methylquinazolin-4-amine | s6530 | AKOS030526739 | EBE-A22 | N16932 | BDBM3563 | DTXSID60416148 | BCP20742 | 4-Quinazolinamine, N-(3-bromophenyl)-6,7-dimethoxy-N-methyl- | HY-14347

Storage

Store at -80°C

Shipped In

Dry ice packs + Cold packs

Especificaciones

Sinónimos

EBE-A 22;EBE A22; EBEA22 | MS-26039 | N-(3-bromophenyl)-6,7-dimethoxy-N-methylquinazolin-4-amine | s6530 | AKOS030526739 | EBE-A22 | N16932 | BDBM3563 | DTXSID60416148 | BCP20742 | 4-Quinazolinamine, N-(3-bromophenyl)-6,7-dimethoxy-N-methyl- | HY-14347

Especificaciones y pureza

10mM in DMSO

Mecanismos bioquímicos y fisiológicos

Description:
EBE-A22 is a derivative of PD 153035 which can inhibit ErbB-1-phosphorylation, whereas EBE-A22 is inactive. The brominated anilinoquinazoline derivative PD153035 exhibits a very high affinity and selectivity for the epid

Condiciones de almacenamiento de almacenamiento

Store at -80°C

Enviado en

Dry ice packs + Cold packs

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Nombres e identificadores

Pubchem Sid

528765800

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/528765800

Sonrisas canónicas

CN(C1=CC(=CC=C1)Br)C2=NC=NC3=CC(=C(C=C32)OC)OC

IUPAC Name

N-(3-bromophenyl)-6,7-dimethoxy-N-methylquinazolin-4-amine

InChIKey

IPWGDOZPSOZFOD-UHFFFAOYSA-N

INCHI

1S/C17H16BrN3O2/c1-21(12-6-4-5-11(18)7-12)17-13-8-15(22-2)16(23-3)9-14(13)19-10-20-17/h4-10H,1-3H3

Isómeros SMILES

CN(C1=CC(=CC=C1)Br)C2=NC=NC3=CC(=C(C=C32)OC)OC

Peso molecular

374.23

Reaxy-Rn

7440433

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=7440433&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic nitrogen compounds
    • Clase Organonitrogen compounds
      • Subclass Amines
        • Level5 Tertiary amines
          • Level6 Tertiary alkylarylamines
            • Level7 Alkyldiarylamines

• Kingdom: Organic compounds
• Superclass: Organic nitrogen compounds
• Clase: Organonitrogen compounds
• Subclass: Amines
• Intermediate Tree Nodes: Tertiary amines - Tertiary alkylarylamines
• Direct Parent: Alkyldiarylamines
• Alternative Parents: Quinazolinamines Anisoles Aniline and substituted anilines Bromobenzenes Aminopyrimidines and derivatives Alkyl aryl ethers Imidolactams Aryl bromides Heteroaromatic compounds Azacyclic compounds Organobromides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Alkyldiarylamine - Quinazolinamine - Quinazoline - Anisole - Aniline or substituted anilines - Phenol ether - Alkyl aryl ether - Aminopyrimidine - Bromobenzene - Halobenzene - Aryl bromide - Aryl halide - Monocyclic benzene moiety - Imidolactam - Pyrimidine - Benzenoid - Heteroaromatic compound - Organoheterocyclic compound - Ether - Azacycle - Organohalogen compound - Organobromide - Organooxygen compound - Organic oxygen compound - Hydrocarbon derivative - Aromatic heteropolycyclic compound
• Descripción: This compound belongs to the class of organic compounds known as alkyldiarylamines. These are tertiary alkylarylamines having two aryl and one alkyl groups attached to the amino group.
• 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

Objetivos asociados (humanos)

EGFR Tclin Epidermal growth factor receptor erbB1 (33727 Activities)

Discover Target: EGFR

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

TOP1 Tclin DNA topoisomerase I (7553 Activities)

Discover Target: TOP1

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

KDR Tclin Vascular endothelial growth factor receptor 2 (20924 Activities)

Discover Target: KDR

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HT-29 (80576 Activities)

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MCF7 (126967 Activities)

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PC-3 (62116 Activities)

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Mecanismos de acción

Propiedades químicas y físicas

• Peso molecular: 374.200 g/mol
• XLogP3: 4.200
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 4
• Exact Mass: 373.043 Da
• Monoisotopic Mass: 373.043 Da
• Topological Polar Surface Area: 47.500 Ų
• Heavy Atom Count: 23
• Formal Charge: 0
• Complexity: 387.000
• 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