R406 Benzenesulfonate

HCID 11984591

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Basic information

CAS: 841290-81-1
Standard SMILES: COc1cc(Nc2ncc(F)c(Nc3ccc4c(n3)NC(=O)C(C)(C)O4)n2)cc(OC)c1OC.O=S(=O)(O)c1ccccc1
InChIKey: UXDRJPYSTZHIOE-UHFFFAOYSA-N
Molecular formula: C28H29FN6O8S
Average molar mass: 628.6 g/mol
Monoisotopic mass: 628.17516124

Names & identifiers

Preferred name: R406 Benzenesulfonate
IUPAC: 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
English name: R406
Molecular formula: C28H29FN6O8S
Molecular weight: 628.6286632

Names & synonyms

841290-81-1R406R406 BenzenesulfonateR406 besylate6-((5-fluoro-2-((3,4,5-trimethoxyphenyl)amino)pyrimidin-4-yl)amino)-2,2-dimethyl-2H-pyrido[3,2-b][1,4]oxazin-3(4H)-one benzenesulfonateMFCD18385012Tamatinib besylateEX-A103-1benzenesulfonic 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-oneR 4066-[[5-fluoro-2-[(3,4,5-trimethoxyphenyl)amino]-4-pyrimidinyl]amino]-2,2-dimethyl-2H-pyrido[3,2-b]-1,4-oxazin-3(4H)-one benzenesulfonateN4-(2,2-dimethyl-3-oxo-4H-pyrid(1,4)oxazin-6-yl)-5-fluoro-N2-(3,4,5-trimethoxyphenyl)-2,4-pyrimidinediamine

Show more names

TamatinibCS-735R406, >=98%R406 ，S2194R406 tosilateR406 supplierR406, 10 mM in DMSOR406(benzenesulfonate)

N4-(2,2-dimethyl-3-oxo-4H-pyrid[1,4]oxazin-6-yl)-5-fluoro-N2-(3,4,5-trimethoxyphenyl)-2,4-pyrimidinediamine6-(5-fluoro-2-(3,4,5-trimethoxyphenylamino)pyrimidin-4-ylamino)-2,2-dimethyl-2H-pyrido[3,2-b][1,4]oxazin-3(4H)-one benzenesulfonateR 406 cpd06 Besylate841290-81-1 (besylate)6-[[5-Fluoro-2-[(3,4,5-trimethoxyphenyl)amino]-4-pyrimidinyl]amino]-2,2-dimethyl-2H-Pyrido[3,2-b]-1,4-oxazin-3(4H)-one Monobenzenesulfonate; R406CS-0229TAMATINIB (SALT)

Database identifiers

CAS: 841290-81-1
PubChem CID: 11984591
DTXSID: DTXSID80475212
ChEMBL: CHEMBL5594424

Properties

Computed structural properties

Topological polar surface area: 192 Å²
Hydrogen bond donors: 4
Hydrogen bond acceptors: 14
Rotatable bonds: 8
Heavy atoms: 44
Formal charge: 0
Complexity: 874

Physicochemical properties

storage temp.: -20 °C · Store at -20°C
solubility: 31.45 mg/mL · ≥31.45 mg/mL in DMSO; insoluble in H2O; ≥14.95 mg/mL in EtOH with ultrasonic
form: solid
color: Light yellow to khaki
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 302 · H302-H315-H319-H335
Precautionary statements: 261 · P261-P305+P351+P338

Safety & regulation

Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.

Safety data

Signal word: Warning
Symbol(GHS): GHS07
Hazard statements: H302-H315-H319-H335
Precautionary statements: P261-P305+P351+P338

Chemistry & industry

Applications

UsesR406 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).

Suppliers79 total

南通飞宇生物科技有限公司0513-68819626 15152877458 · [email protected]

Career Henan Chemica Co+86-0371-86658258 +86-13203830695 · [email protected]

江苏艾康生物医药研发有限公司025-58851090 19370895928 · [email protected]

杭州品高化工有限公司0571-87658025 · [email protected]

上海毕得医药科技股份有限公司400-1647117 13681763483 · [email protected]

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