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| CAS No.: | 901119-35-5 |
|---|---|
| Name: | Fostamatinib |
| Article Data: | 10 |
| Cas Database | |
| Molecular Structure: | |
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| Formula: | C23H26FN6O9P |
| Molecular Weight: | 580.466 |
| Synonyms: | [6-({5-Fluoro-2-[(3,4,5-trimethoxyphenyl)amino]-4-pyrimidinyl}amino)-2,2-dimethyl-3-oxo-2,3-dihydro-4H-pyrido[3,2-b][1,4]oxazin-4-yl]methyl dihydrogen phosphate; |
| EINECS: | 618-473-2 |
| Density: | 1.497 g/cm3 |
| Boiling Point: | 814.248 °C at 760 mmHg |
| Flash Point: | 446.242 °C |
| PSA: | 199.76000 |
| LogP: | 2.65440 |
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Specification
The Fostamatinib, with the CAS registry number 945745-48-2, is also known as R 788. It belongs to the classification code of Treatment of rheumatoid arthritis, immune thrombocytopenic purpura, and B-cell lymphoma. This chemical's molecular formula is C23H26FN6O9P and molecular weight is 580.46. What's more, both its IUPAC name and systematic name are the same which is called [6-({5-Fluoro-2-[(3,4,5-trimethoxyphenyl)amino]-4-pyrimidinyl}amino)-2,2-dimethyl-3-oxo-2,3-dihydro-4H-pyrido[3,2-b][1,4]oxazin-4-yl]methyl dihydrogen phosphate. Fostamatinib is an experimental drug candidate for the treatment of a variety of diseases. The drug is administered orally as a disodium salt, and is a prodrug of the active compound tamatinib (R-406), which is an inhibitor of the enzyme spleen tyrosine kinase (Syk).
Physical properties about Fostamatinib are: (1)ACD/LogP: 2.119; (2)# of Rule of 5 Violations: 2; (3)ACD/LogD (pH 5.5): -1.28; (4)ACD/LogD (pH 7.4): -2.20; (5)ACD/BCF (pH 5.5): 1.00; (6)ACD/BCF (pH 7.4): 1.00; (7)ACD/KOC (pH 5.5): 1.00; (8)ACD/KOC (pH 7.4): 1.00; (9)#H bond acceptors: 15; (10)#H bond donors: 4; (11)#Freely Rotating Bonds: 7; (12)Polar Surface Area: 196.53 Å2; (13)Index of Refraction: 1.629; (14)Molar Refractivity: 137.874 cm3; (15)Molar Volume: 387.836 cm3; (16)Polarizability: 54.658×10-24cm3; (17)Surface Tension: 68.796 dyne/cm; (18)Density: 1.497 g/cm3; (19)Flash Point: 446.242 °C; (20)Enthalpy of Vaporization: 124.094 kJ/mol; (21)Boiling Point: 814.248 °C at 760 mmHg; (22)Vapour Pressure: 0 mmHg at 25 °C.
You can still convert the following datas into molecular structure:
(1) SMILES: Fc1cnc(nc1Nc2nc3N(C(=O)C(Oc3cc2)(C)C)COP(=O)(O)O)Nc4cc(OC)c(OC)c(OC)c4
(2) InChI: InChI=1S/C23H26FN6O9P/c1-23(2)21(31)30(11-38-40(32,33)34)20-14(39-23)6-7-17(28-20)27-19-13(24)10-25-22(29-19)26-12-8-15(35-3)18(37-5)16(9-12)36-4/h6-10H,11H2,1-5H3,(H2,32,33,34)(H2,25,26,27,28,29)
(3) InChIKey: GKDRMWXFWHEQQT-UHFFFAOYSA-N