Infigratinib

Base Information

• Chemical Name: Infigratinib
• CAS No.: 872511-34-7
• Molecular Formula: C₂₆H₃₁Cl₂N₇O₃
• Molecular Weight: 560.483
• UNII: A4055ME1VK
• DSSTox Substance ID: DTXSID70236238
• Nikkaji Number: J3.268.564A
• Wikipedia: Infigratinib
• Wikidata: Q27075200
• NCI Thesaurus Code: C88302
• RXCUI: 2550729
• Pharos Ligand ID: 51D1WX9A6P18
• Metabolomics Workbench ID: 62789
• ChEMBL ID: CHEMBL1852688
• Mol file: 872511-34-7.mol

Synonyms:3-(2,6-dichloro-3,5-dimethoxyphenyl)-1-(6-(4-(4-ethylpiperazin-1-yl)-phenylamino)pyrimidin-4-yl)-1-methylurea;BGJ-398;BGJ398;infigratinib;NVP-BGJ398;truseltiq

Chemical Property of Infigratinib

Chemical Property:

• Boiling Point: 747.9±60.0 °C(Predicted)
• PKA: 11.02±0.70(Predicted)
• PSA: 95.09000
• Density: 1.354
• LogP: 5.50330
• Storage Temp.: -20°C
• Solubility.: Soluble in DMSO (up to 5 mg/ml)
• XLogP3: 4.7
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 8
• Rotatable Bond Count: 8
• Exact Mass: 559.1865433
• Heavy Atom Count: 38
• Complexity: 724

Purity/Quality:

99% ^*data from raw suppliers

BGJ398 ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Drug Classes: Antineoplastic Agents
• Canonical SMILES: CCN1CCN(CC1)C2=CC=C(C=C2)NC3=CC(=NC=N3)N(C)C(=O)NC4=C(C(=CC(=C4Cl)OC)OC)Cl
• Recent ClinicalTrials: Extension Study of Infigratinib in Children With Achondroplasia (ACH)
• Recent EU Clinical Trials: Phase 2, Open-Label, Long-Term, Extension (OLE) Study of Infigratinib, an FGFR 1-3-Selective Tyrosine Kinase Inhibitor, in Children with Achondroplasia: PROPEL OLE
• Recent NIPH Clinical Trials: A long-term safety study of oral infigratinib
• Uses: BGJ 398 is a potent and selective inhibitor of the fibroblast growth factor receptor family of receptor tyrosine kinase.
• Description: NVP-BGJ398 (872511-34-7) is a potent and selective pan-FGFR inhibitor (IC50?= 0.9nM, 1.4 nM, 1.0 nM, and 60 nM for FGFR1,2,3,4 respectively).1? It has also been used in a mouse model of Achondroplasia (most common form of dwarfism) to correct pathological hallmarks of this condition.

Technology Process of Infigratinib

There total 3 articles about Infigratinib 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: 96.7%

NVP-BGJ398 phosphoric acid (1310746-10-1) → NVP-BGJ398 (872511-34-7)

Guidance literature:

With ammonium hydroxide; at 18 ℃; for 17h; Inert atmosphere;

Reference yield:

2,4-dichloro-3-isocyanato-1,5-methoxy-4-methylbenzene (872511-32-5) + of N4-(4-(4-ethylpiperazin-1-yl)phenyl)-N6-methylpyrimidine-4,6-diamine (872511-35-8) → NVP-BGJ398 (872511-34-7)

Guidance literature:

In toluene; for 1.5h; Reflux;

Reference yield:

→ NVP-BGJ398 (872511-34-7)

Guidance literature:

upstream raw materials:

2,4-dichloro-3-isocyanato-1,5-methoxy-4-methylbenzene

of N⁴-(4-(4-ethylpiperazin-1-yl)phenyl)-N⁶-methylpyrimidine-4,6-diamine

NVP-BGJ₃₉₈ phosphoric acid

Refernces

• 1、 -. "PYRIMIDINE UREA DERIVATIVES AS KINASE INHIBITORS". Page/Page column 209. . Retrieved 2008/06/13.