R788 (Fostamatinib) Disodium - ≥98% , CAS No.1025687-58-4

CAS: 1025687-58-4 Cat. No.: R129913 Molecular Weight: 624.42 PubChem CID: 25008120

GRADE & PURITY ≥98%

Synonyms

CCG-270264 | R788 disodium (Fostamatinib) | 1025687-58-4 | FosD | R788(Fostamatinib disodium) | 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)-, sodium salt

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Overview

R788 (Fostamatinib) disodium, a prodrug of the active metabolite R406, is a Syk inhibitor with IC50 of 41 nM, strongly inhibits Syk but not Lyn, 5-fold less potent to Flt3. Phase 3.
An inhibitor to spleenic kinase-mediated IgG Fc receptor signaling.

Specifications

Synonyms

CCG-270264 | R788 disodium (Fostamatinib) | 1025687-58-4 | FosD | R788(Fostamatinib disodium) | 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)-, sodium salt

Specifications & Purity

≥98%

Biochemical and Physiological Mechanisms

R788 (Fostamatinib) is an important spleen tyrosine kinase (Syk) inhibitor, showing efficacy against kinase-mediated IgG Fc gamma receptor signaling. R788 inhibits the activation of mast cells, macrophages, and B-cells and related inflammatory responses a

Storage

Store at -20°C

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: 504769930
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504769930
• 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.[Na+].[Na+]
• IUPAC Name: disodium;[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 phosphate
• InChIKey: HSYBQXDGYCYSGA-UHFFFAOYSA-L
• INCHI: 1S/C23H26FN6O9P.2Na/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);;/q;2*+1/p-2
• Isomeric 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.[Na+].[Na+]
• PubChem CID: 25008120
• Molecular Weight: 624.42

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Class Benzene and substituted derivatives
      • Subclass Aniline and substituted anilines

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Class: Benzene and substituted derivatives
• Subclass: Aniline and substituted anilines
• Intermediate Tree Nodes: Not available
• Direct Parent: Methoxyanilines
• Alternative Parents: Phenoxy compounds Methoxybenzenes Anisoles Alkyl aryl ethers Aminopyridines and derivatives Aminopyrimidines and derivatives Halopyrimidines Alkyl phosphates Imidolactams Aryl fluorides Tertiary carboxylic acid amides Heteroaromatic compounds Lactams Oxacyclic compounds Organic metal halides Azacyclic compounds Carbonyl compounds Hydrocarbon derivatives Organic oxides Organic sodium salts Amines Organic zwitterions Organofluorides
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Methoxyaniline - Phenol ether - Phenoxy compound - Methoxybenzene - Anisole - Alkyl aryl ether - Aminopyridine - Halopyrimidine - Aminopyrimidine - Alkyl phosphate - Pyrimidine - Organic phosphoric acid derivative - Imidolactam - Pyridine - Phosphoric acid ester - Aryl halide - Aryl fluoride - Tertiary carboxylic acid amide - Heteroaromatic compound - Lactam - Carboxamide group - Organic metal halide - Oxacycle - Azacycle - Carboxylic acid derivative - Ether - Organic alkali metal salt - Organoheterocyclic compound - Organic sodium salt - Organic oxide - Organic nitrogen compound - Organic oxygen compound - Carbonyl group - Amine - Organohalogen compound - Hydrocarbon derivative - Organofluoride - Organonitrogen compound - Organooxygen compound - Organic salt - Organic zwitterion - Aromatic heteropolycyclic compound
• Description: This compound belongs to the class of organic compounds known as methoxyanilines. These are organic compound containing an aniline group substituted at one or more positions by a methoxy group.
• 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: Soluble in DMSO (0.4 mg/ml at 25 °C), water (<1 mg/ml at 25 °C), ethanol (<1 mg/ml at 25 °C), and 0.5% CMC/0.25% Tween 80,pH6.5 (30 mg/ml at 25 °C).
• Sensitivity: Moisture sensitive
• Melt Point(°C): >191°C (dec.)
• Molecular Weight: 624.400 g/mol
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 15
• Rotatable Bond Count: 9
• Exact Mass: 624.112 Da
• Monoisotopic Mass: 624.112 Da
• Topological Polar Surface Area: 192.000 Ų
• Heavy Atom Count: 42
• Formal Charge: 0
• Complexity: 893.000
• 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: 3

XLogP3