2-({5-Chloro-2-[(2-Methoxy-4-Morpholin-4-Ylphenyl)amino]pyrimidin-4-Yl}amino)-N-Methylbenzamide

Base Information

• Chemical Name: 2-({5-Chloro-2-[(2-Methoxy-4-Morpholin-4-Ylphenyl)amino]pyrimidin-4-Yl}amino)-N-Methylbenzamide
• CAS No.: 761437-28-9
• Molecular Formula: C₂₃H₂₅ClN₆O₃
• Molecular Weight: 468.943
• Hs Code.: 2934999090
• DSSTox Substance ID: DTXSID90433025
• Nikkaji Number: J2.742.731F
• Wikidata: Q27096680
• Pharos Ligand ID: R5Q9CBFZGX71
• Metabolomics Workbench ID: 150634
• ChEMBL ID: CHEMBL458997
• Mol file: 761437-28-9.mol

Synonyms:TAE226

Chemical Property of 2-({5-Chloro-2-[(2-Methoxy-4-Morpholin-4-Ylphenyl)amino]pyrimidin-4-Yl}amino)-N-Methylbenzamide

Chemical Property:

• PSA: 100.64000
• Density: 1.349
• LogP: 4.42390
• Solubility.: ≥23.45 mg/mL in DMSO; insoluble in H2O; insoluble in EtOH
• XLogP3: 4.1
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 8
• Rotatable Bond Count: 7
• Exact Mass: 468.1676664
• Heavy Atom Count: 33
• Complexity: 625

Purity/Quality:

99%, ^*data from raw suppliers

TAE226 ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CNC(=O)C1=CC=CC=C1NC2=NC(=NC=C2Cl)NC3=C(C=C(C=C3)N4CCOCC4)OC
• Description: NVP-TAE226 is an inhibitor of focal adhesion kinase (FAK; IC50 = 5.5 nM) and the related proline-rich tyrosine kinase 2-β (PYK2β; IC50 = 5 nM). It can also inhibit the insulin-like growth factor 1 receptor (IC50 = 0.16 μM) as well as the activity of its downstream target genes such as MAPK and Akt. NVP-TAE226 has been shown to inhibit glioma and ovarian tumor growth in in vivo tumor models.
• Uses: NVP-TAE 226 is FAK and IGF-IR inhibitor. It can be used in biological study and therapeutic use of TAE226, a bis-?anilino pyrimidine compound, inhibits the egfr-?mutant kinase including T790M mutant to show anti-?tumor effect on EGFR-?mutant non-?small cell lung cancer cells.

Technology Process of 2-({5-Chloro-2-[(2-Methoxy-4-Morpholin-4-Ylphenyl)amino]pyrimidin-4-Yl}amino)-N-Methylbenzamide

There total 1 articles about 2-({5-Chloro-2-[(2-Methoxy-4-Morpholin-4-Ylphenyl)amino]pyrimidin-4-Yl}amino)-N-Methylbenzamide 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:

2-Amino-N-methylbenzamid (4141-08-6) → TAE226 (761437-28-9)

Guidance literature:

Multi-step reaction with 2 steps

1: potassium carbonate / N,N-dimethyl-formamide; water / 5 h / 75 °C

2: hydrogenchloride / ethanol / 60 °C

With hydrogenchloride; potassium carbonate; In ethanol; water; N,N-dimethyl-formamide;

upstream raw materials:

2-Amino-N-methylbenzamid

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