R406 Benzenesulfonate

Base Information

• Chemical Name: R406 Benzenesulfonate
• CAS No.: 841290-81-1
• Molecular Formula: C₆H₆O₃S*C₂₂H₂₃FN₆O₅
• Molecular Weight: 628.638
• DSSTox Substance ID: DTXSID80475212
• Mol file: 841290-81-1.mol

Synonyms:N4-(2,2-dimethyl-3-oxo-4H-pyrid(1,4)oxazin-6-yl)-5-fluoro-N2-(3,4,5-trimethoxyphenyl)-2,4-pyrimidinediamine;R 406 cpd;R-406 cpd;R406 cpd

Chemical Property of R406 Benzenesulfonate

Chemical Property:

• PSA: 198.22000
• LogP: 5.22730
• Solubility.: ≥31.45 mg/mL in DMSO; insoluble in H2O; ≥14.95 mg/mL in EtOH with ultrasonic
• Hydrogen Bond Donor Count: 4
• Hydrogen Bond Acceptor Count: 14
• Rotatable Bond Count: 8
• Exact Mass: 628.17516124
• Heavy Atom Count: 44
• Complexity: 874

Purity/Quality:

99% ^*data from raw suppliers

R406 ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1(C(=O)NC2=C(O1)C=CC(=N2)NC3=NC(=NC=C3F)NC4=CC(=C(C(=C4)OC)OC)OC)C.C1=CC=C(C=C1)S(=O)(=O)O
• Uses: R406 is a potent Syk inhibitor which affects Dectin-1-mediated signalling in mammilian cells. R406 thus acts an anti-fungal agent. Also a potential anti-leukemia agent, through modulation of sphingosine-1 phosphate receptor 1 (S1PR1).

Technology Process of R406 Benzenesulfonate

There total 1 articles about R406 Benzenesulfonate 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:

→ benzenesulfonic acid;6-[[5-fluoro-2-(3,4,5-trimethoxyanilino)pyrimidin-4-yl]amino]-2,2-dimethyl-4H-pyrido[3,2-b][1,4]oxazin-3-one (841290-81-1)

Guidance literature:

Refernces