Fostamatinib Disodium Hexahydrate - 10mM in DMSO , Tyrosine-protein kinase SYK inhibitor, CAS No.914295-16-2, Tyrosine-protein kinase SYK inhibitor

CAS: 914295-16-2 Cat. No.: F426903 Molecular Weight: 732.51 EC Number: 682-713-2

GRADE & PURITY 10mM in DMSO

Synonyms

Fostamatinib disodium hexahydrate|914295-16-2|Fostamatinib disodium|R788 disodium hexahydrate|Fostamatinib disodium [USAN]|Tavalisse|R-788 Sodium|R788 SODIUM|R-935788 Sodium|R935788 SODIUM|86EEZ49YVB|R788 SODIUM HYDRATE|R788 (disodium hexahydrate)|R-788 S

Storage

Store at -80°C

Shipped In

Dry ice packs + Cold packs

Specifications

Synonyms

Fostamatinib disodium hexahydrate | 914295-16-2 | Fostamatinib disodium | R788 disodium hexahydrate | Fostamatinib disodium [USAN] | Tavalisse | R-788 Sodium | R788 SODIUM | R-935788 Sodium | R935788 SODIUM | 86EEZ49YVB | R788 SODIUM HYDRATE | R788 (disodium hexahydrate) | R-788 S

Specifications & Purity

10mM in DMSO

Storage

Store at -80°C

Shipped In

Dry ice packs + Cold packs

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

Action Type

INHIBITOR

Mechanism of action

Tyrosine-protein kinase SYK inhibitor

Names and Identifiers

• 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.O.O.O.O.O.O.[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;hexahydrate
• InChIKey: ZQGJCHHKJNSPMS-UHFFFAOYSA-L
• INCHI: 1S/C23H26FN6O9P.2Na.6H2O/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);;;6*1H2/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.O.O.O.O.O.O.[Na+].[Na+]
• Molecular Weight: 732.51
• Reaxy-Rn: 28316980
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=28316980&ln=

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

Associated Targets(Human)

SYK Tclin Tyrosine-protein kinase SYK (7372 Activities)

Discover Target: SYK

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

KDR Tclin Vascular endothelial growth factor receptor 2 (20924 Activities)

Discover Target: KDR

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Mechanisms of Action

Chemical and Physical Properties

• Molecular Weight: 732.500 g/mol
• Hydrogen Bond Donor Count: 8
• Hydrogen Bond Acceptor Count: 21
• Rotatable Bond Count: 9
• Exact Mass: 732.176 Da
• Monoisotopic Mass: 732.176 Da
• Topological Polar Surface Area: 198.000 Ų
• Heavy Atom Count: 48
• 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: 9

XLogP3