Details of the Active Pharmaceutical Ingredient (API)

General Information of API (ID: D01107)
Name
Fostamatinib
Synonyms    Click to Show/Hide the Synonyms of This API
Fostamatinib; 901119-35-5; Fostamatinib (R788); R788; Tavalisse; UNII-SQ8A3S5101; Fostamatinib(R788); R-788 Free acid; R 788; [6-[[5-fluoro-2-(3,4,5-trimethoxyanilino)pyrimidin-4-yl]amino]-2,2-dimethyl-3-oxopyrido[3,2-b][1,4]oxazin-4-yl]methyl dihydrogen phosphate; R788 FREE ACID; R-935788 Free acid; R-788; R935788 FREE ACID; SQ8A3S5101; R7935788; Fostamatinib/R788; [6-({5-Fluoro-2-[(3,4,5-Trimethoxyphenyl)amino]pyrimidin-4-Yl}amino)-2,2-Dimethyl-3-Oxo-2,3-Dihydro-4h-Pyrido[3,2-B][1,4]oxazin-4-Yl]methyl Dihydrogen Phosphate; 2H-Pyrido(3,2-b)-1,4-oxazin-3(4H)-one, 6-((5-fluoro-2-((3,4,5-trimethoxyphenyl)amino)-4-pyrimidinyl)amino)-2,2-dimethyl-4-((phosphonooxy)methyl)-; R788 compound; Fostamatinib [USAN:INN]; Tavlesse; R-935788; 2H-Pyrido[3,2-b]-1,4-oxazin-3(4H)-one, 6-[[5-fluoro-2-[(3,4,5-trimethoxyphenyl)amino]-4-pyrimidinyl]amino]-2,2-dimethyl-4-[(phosphonooxy)methyl]-; R 788 compound; Fostamatinib (USAN); R788 (Fostamatinib); GTPL7796; QCR-82; SCHEMBL1201371; CHEMBL2103830; EX-A108; BCPP000226; HMS3651H09; BCP01871; ABP000970; BDBM50431381; HY-13038A; MFCD16628163; NSC800102; s2625; ZINC43131420; AKOS025404920; AM81257; BCP9000704; CCG-270128; DB12010; NSC-800102; PB25570; VA12036; NCGC00346622-01; NCGC00346622-02; [6-[[5-fluoro-2-(3,4,5-trimethoxyanilino)pyrimidin-4-yl]amino]-2,2-dimethyl-3-oxo-pyrido[3,2-b][1,4]oxazin-4-yl]methyl dihydrogen phosphate; 6-[[5-fluoro-2-[(3,4,5-trimethoxyphenyl)amino]-4-pyrimidinyl]amino]-2,2-dimethyl-4-[(phosphonooxy)methyl]-2H-pyrido[3,2-b]-1,4-oxazin-3(4H)-one; AC-30126; AS-56399; AB0008135; FT-0699180; SW219234-1; A11926; D09347; Q-4555; J-517972; Q5473550; R788;R7935788;R 788;R 7935788;R-788;R-7935788; (6-(5-fluoro-2-(3,4,5-trimethoxyphenylamino)pyrimidin-4-ylamino)-2,2-dimethyl-3-oxo-2H-pyrido[3,2-b][1,4]oxazin-4(3H)-yl)methyl dihydrogen phosphate; [6-[[5-fluoro-2-[(3,4,5-trimethoxyphenyl)amino]pyrimidin-4-yl]amino]-2,2-dimethyl-3-oxopyrido[2,3-e][1,4]oxazin-4-yl]methyl dihydrogen phosphate; 2RC; 6-((5-Fluoro-2-((3,4,5-trimethoxyphenyl)amino)-4-pyrimidinyl)amino)-2,2-dimethyl-4-((phosphonooxy)methyl)-2h-pyrido(3,2-b)-1,4-oxazi n-3(4h)-one
Clinical Status
Approved
PubChem CID
11671467
Formula
C23H26FN6O9P
Canonical SMILES
CC1(C(=O)N(C2=C(O1)C=CC(=N2)NC3=NC(=NC=C3F)NC4=CC(=C(C(=C4)OC)OC)OC)COP(=O)(O)O)C
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)
InChIKey
GKDRMWXFWHEQQT-UHFFFAOYSA-N
   Click to Show/Hide the Molecular Data (Structure/Property) of This API
Structure
<iframe style="width: 300px; height: 300px;" frameborder="0" src="https://embed.molview.org/v1/?mode=balls&cid=11671467"></iframe>
3D MOL 2D MOL
Physicochemical Properties Molecular Weight 580.5 Topological Polar Surface Area 187
XlogP 1.6 Complexity 904
Heavy Atom Count 40 Rotatable Bond Count 10
Hydrogen Bond Donor Count 4 Hydrogen Bond Acceptor Count 15
Full List of Drug Formulations (DFMs) Containing This API
          Fostamatinib 100 mg tablet Click to Show/Hide the Full List of Formulation(s):          1 Formulation(s)
             Drug Formulation 1 DFM Info click to show the detail info of this DFM
                   All DIGs    Click to Show/Hide the Full List of DIGs in This DFM
Mannitol; Sodium Bicarbonate; Sodium Starch Glycolate; Povidone; Magnesium Stearate; Polyvinyl Alcohol; Titanium Dioxide; Polyethylene Glycol 3350; Talc; Iron Oxide Yellow; Iron Oxide Red
                   Dosage Form Tablet
                   Company Rigel Pharmaceuticals
                   DIG(s) with
                   Biological Activity
DIG Name DIG Info Representative Biological Activity of This DIG REF
Mannitol DIG Info Glycine receptor alpha-1 (EC50 = 12589.25 nM) [1]
Polyvinyl alcohol DIG Info Debrisoquine 4-hydroxylase (EC50 = 354.8 uM) [2]
Povidone DIG Info Cholesterol 25-hydroxylase (IC50 = 78.3 uM) [2]
Magnesium stearate DIG Info Albendazole monooxygenase (Protein expression downregulation) [3]
Polyethylene glycol 3350 DIG Info Albendazole monooxygenase (Protein expression upregulation) [3]
          Fostamatinib 150 mg tablet Click to Show/Hide the Full List of Formulation(s):          1 Formulation(s)
             Drug Formulation 1 DFM Info click to show the detail info of this DFM
                   All DIGs    Click to Show/Hide the Full List of DIGs in This DFM
Mannitol; Sodium Bicarbonate; Sodium Starch Glycolate; Povidone; Magnesium Stearate; Polyvinyl Alcohol; Titanium Dioxide; Polyethylene Glycol 3350; Talc; Iron Oxide Yellow; Iron Oxide Red
                   Dosage Form Tablet
                   Company Rigel Pharmaceuticals
                   DIG(s) with
                   Biological Activity
DIG Name DIG Info Representative Biological Activity of This DIG REF
Mannitol DIG Info Glycine receptor alpha-1 (EC50 = 12589.25 nM) [1]
Polyvinyl alcohol DIG Info Debrisoquine 4-hydroxylase (EC50 = 354.8 uM) [2]
Povidone DIG Info Cholesterol 25-hydroxylase (IC50 = 78.3 uM) [2]
Magnesium stearate DIG Info Albendazole monooxygenase (Protein expression downregulation) [3]
Polyethylene glycol 3350 DIG Info Albendazole monooxygenase (Protein expression upregulation) [3]
References
1 Pharmacological property optimization for allosteric ligands: A medicinal chemistry perspective. Bioorg Med Chem Lett. 2017 Jun 1; 27(11):2239-2258.
2 Mediation of in vitro cytochrome p450 activity by common pharmaceutical excipients. Mol Pharm. 2013 Jul 1;10(7):2739-48.
3 Effects of commonly used excipients on the expression of CYP3A4 in colon and liver cells. Pharm Res. 2010 Aug;27(8):1703-12.

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