R406 - ≥98% , CAS No.841290-81-1

CAS: 841290-81-1 Cat. No.: R126996 Molecular Weight: 628.63 PubChem CID: 11984591

GRADE & PURITY ≥98%

Synonyms

N4-(2,2-dimethyl-3-oxo-4H-pyrid(1,4)oxazin-6-yl)-5-fluoro-N2-(3,4,5-trimethoxyphenyl)-2,4-pyrimidinediamine | EX-A103-1 | N4-(2,2-dimethyl-3-oxo-4H-pyrid[1,4]oxazin-6-yl)-5-fluoro-N2-(3,4,5-trimethoxyphenyl)-2,4-pyrimidinediamine | R406 Benzenesulfonate |

Storage

Store at -20°C,Argon charged

Shipped In

Ice chest + Ice pads

Overview

R406 is a potent Syk inhibitor with IC50 of 41 nM, strongly inhibits Syk but not Lyn, 5-fold less potent to Flt3. Phase 1.
An IgE and IgG- mediated Fc signaling activation inhibitor.

Specifications

Synonyms

N4-(2, 2-dimethyl-3-oxo-4H-pyrid(1, 4)oxazin-6-yl)-5-fluoro-N2-(3, 4, 5-trimethoxyphenyl)-2, 4-pyrimidinediamine | EX-A103-1 | N4-(2, 2-dimethyl-3-oxo-4H-pyrid[1, 4]oxazin-6-yl)-5-fluoro-N2-(3, 4, 5-trimethoxyphenyl)-2, 4-pyrimidinediamine | R406 Benzenesulfonate |

Specifications & Purity

≥98%

Biochemical and Physiological Mechanisms

R406 is an inhibitor of IgE and IgG-mediated activation of Fc receptor signaling, stopping the production/release of LTC4, cytokines, and chemokines, including TNFα, IL-8, and GM-CSF. R406 inhibits phosphorylation of Syk substrate linker and blocks Syk-de

Storage

Store at -20°C, Argon charged

Shipped In

Ice chest + Ice pads

This product requires cold chain shipping. Ground and other economy services are not available.

Purity

≥98%

Names and Identifiers

• Pubchem Sid: 488197832
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488197832
• 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
• IUPAC Name: 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
• InChIKey: UXDRJPYSTZHIOE-UHFFFAOYSA-N
• INCHI: 1S/C22H23FN6O5.C6H6O3S/c1-22(2)20(30)28-19-13(34-22)6-7-16(27-19)26-18-12(23)10-24-21(29-18)25-11-8-14(31-3)17(33-5)15(9-11)32-4;7-10(8,9)6-4-2-1-3-5-6/h6-10H,1-5H3,(H3,24,25,26,27,28,29,30);1-5H,(H,7,8,9)
• Isomeric 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
• PubChem CID: 11984591
• Molecular Weight: 628.63

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Class Benzene and substituted derivatives
      • Subclass Benzenesulfonic acids and derivatives

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Class: Benzene and substituted derivatives
• Subclass: Benzenesulfonic acids and derivatives
• Intermediate Tree Nodes: Not available
• Direct Parent: Benzenesulfonic acids and derivatives
• Alternative Parents: Benzenesulfonyl compounds 1-sulfo,2-unsubstituted aromatic compounds Methoxyanilines Phenoxy compounds Anisoles Methoxybenzenes Halopyrimidines Alkyl aryl ethers Aminopyridines and derivatives Aminopyrimidines and derivatives Aryl fluorides Imidolactams Sulfonyls Heteroaromatic compounds Organosulfonic acids Secondary carboxylic acid amides Lactams Oxacyclic compounds Azacyclic compounds Hydrocarbon derivatives Organic oxides Organofluorides Organonitrogen compounds Organopnictogen compounds Carbonyl compounds
• Molecular Framework: Not available
• Substituents: Benzenesulfonate - 1-sulfo,2-unsubstituted aromatic compound - Methoxyaniline - Arylsulfonic acid or derivatives - Benzenesulfonyl group - Phenoxy compound - Anisole - Phenol ether - Methoxybenzene - Aniline or substituted anilines - Aminopyridine - Aminopyrimidine - Alkyl aryl ether - Halopyrimidine - Aryl fluoride - Aryl halide - Pyrimidine - Pyridine - Imidolactam - Organosulfonic acid - Sulfonyl - Heteroaromatic compound - Organic sulfonic acid or derivatives - Organosulfonic acid or derivatives - Carboxamide group - Lactam - Secondary carboxylic acid amide - Oxacycle - Azacycle - Carboxylic acid derivative - Ether - Organoheterocyclic compound - Organopnictogen compound - Organic oxygen compound - Organohalogen compound - Organic nitrogen compound - Carbonyl group - Organofluoride - Organonitrogen compound - Hydrocarbon derivative - Organic oxide - Organooxygen compound - Organosulfur compound - Aromatic heteropolycyclic compound
• Description: This compound belongs to the class of organic compounds known as benzenesulfonic acids and derivatives. These are organic compounds containing a sulfonic acid or a derivative thereof that is linked to a benzene ring.
• 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

Chemical and Physical Properties

• Solubility: DMSO 126 mg/mL; Water <1 mg/mL; Ethanol 8 mg/mL
• Sensitivity: Moisture sensitive.
• Molecular Weight: 628.600 g/mol
• Hydrogen Bond Donor Count: 4
• Hydrogen Bond Acceptor Count: 14
• Rotatable Bond Count: 8
• Exact Mass: 628.175 Da
• Monoisotopic Mass: 628.175 Da
• Topological Polar Surface Area: 192.000 Ų
• Heavy Atom Count: 44
• Formal Charge: 0
• Complexity: 874.000
• 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: 2

XLogP3

References

1. Guo Jiajie, Qiu Qiujing, Yan Xiaoyuan, Zhang Zeying, Zhang Xiyue, An Na, Yin Chengcheng, Yang Di, Okamura Hirohiko, Yoshida Kaya, Sun Hongchen, Qiu Lihong.  (2026)  Porphyromonas gingivalis-derived extracellular vesicles aggravate bone destruction in rheumatoid arthritis by promoting Syk-dependent osteoclastogenesis.  International Journal of Oral Science,  18  (1): (6).  [PMID:41639593] [10.1038/s41368-025-00416-1]