EBE-A22 - ≥98% , CAS No.229476-53-3

CAS: 229476-53-3 Cat. No.: E126691 Summenformel: C₁₇H₁₆BrN₃O₂ Molekulargewicht: 374.23

GRADE & PURITY ≥98%

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 -20°C

Shipped In

Ice chest + Ice pads

Specifications

Synonyme

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

Spezifikationen & Reinheit

≥98%

Biochemische und physiologische Mechanismen

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

Storage

Store at -20°C

Verschickt in

Ice chest + Ice pads

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

Reinheit

≥98%

Namen und Kennungen

Pubchem Sid

504763631

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/504763631

Kanonisches Lächeln

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

Isomere SMILES

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

Molekulargewicht

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
    • Klasse Organonitrogen compounds
      • Subclass Amines
        • Ebene5 Tertiary amines
          • Ebene6 Tertiary alkylarylamines
            • Ebene7 Alkyldiarylamines

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

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EGFR Tclin Epidermal growth factor receptor erbB1 (33727 Activities)

Discover Target: EGFR

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TOP1 Tclin DNA topoisomerase I (7553 Activities)

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

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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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Wirkungsmechanismen

Chemische und physikalische Eigenschaften

• Löslichkeit: soluble in DMSO.
• Molekulargewicht: 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