EGFR/ErbB-2 Inhibitor

Base Information

• Chemical Name: EGFR/ErbB-2 Inhibitor
• CAS No.: 179248-61-4
• Molecular Formula: C23H21N3O3
• Molecular Weight: 387.43100
• DSSTox Substance ID: DTXSID40431718
• Nikkaji Number: J1.544.206I
• Wikidata: Q27077157
• Pharos Ligand ID: UL9ASM2TW27G
• ChEMBL ID: CHEMBL563845
• Mol file: 179248-61-4.mol

Synonyms:EGFR/ErbB-2 Inhibitor;179248-61-4;4557W;EGFR/ErbB2 Inhibitor;EGFR/ErbB-2/ErbB-4 inhibitor-2;6,7-dimethoxy-N-(4-phenylmethoxyphenyl)quinazolin-4-amine;4-(4-Benzyloxyanilino)-6,7-dimethoxyquinazoline;N-(4-(benzyloxy)phenyl)-6,7-dimethoxyquinazolin-4-amine;6,7-Dimethoxy-N-[4-(phenylmethoxy)phenyl]-4-quinazolinamine;N-[4-(benzyloxy)phenyl]-6,7-dimethoxyquinazolin-4-amine;EGFR/ErbB-2;4-Quinazolinamine, 6,7-dimethoxy-N-[4-(phenylmethoxy)phenyl]-;D0X4OU;SCHEMBL242224;CHEMBL563845;GTPL5964;DTXSID40431718;BDBM429418;HMS3229C21;APS-2-12;US10548897, Compound 10;HSCI1_000238;CCG-206748;MS-26408;HY-112420;CS-0046027;J-011438;BRD-K76819286-001-01-0;Q27077157;N-[4-(Benzyloxy)phenyl]-6,7-dimethoxyquinazoline-4-amine

Chemical Property of EGFR/ErbB-2 Inhibitor

Chemical Property:

• PSA: 65.50000
• LogP: 5.04260
• Solubility.: ≤1mg/ml in DMSO;10mg/ml in dimethyl formamide
• XLogP3: 4.8
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 7
• Exact Mass: 387.15829154
• Heavy Atom Count: 29
• Complexity: 480

Purity/Quality:

98%Min ^*data from raw suppliers

EGFR/ErbB2 Inhibitor ≥95% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC1=C(C=C2C(=C1)C(=NC=N2)NC3=CC=C(C=C3)OCC4=CC=CC=C4)OC
• Uses: 6,7-Dimethoxy-N-[4-(phenylmethoxy)phenyl]-4-quinazolinamine is a cell-permeable inhibitor of EFGR and c-ErbB2. This drug inhibits the proliferation of cancer cells.

Technology Process of EGFR/ErbB-2 Inhibitor

There total 1 articles about EGFR/ErbB-2 Inhibitor which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield: 84.0%

p-benzyloxyaniline (6373-46-2) + 6,7-dimethoxy-4-chloroquinazoline (13790-39-1) → 4557W (179248-61-4)

Guidance literature:

With N-ethyl-N,N-diisopropylamine; In ethanol; for 18h; Reflux;

DOI:10.1016/j.bmcl.2019.07.012

upstream raw materials:

p-benzyloxyaniline

6,7-dimethoxy-4-chloroquinazoline

Refernces