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Chemical structure of Toceranib phosphate

GC37808

Toceranib phosphate

Also known as 5-[(Z)-(5-fluoro-2-oxo-1H-indol-3-ylidene)methyl]-2,4-dimethyl-N-(2-pyrrolidin-1-ylethyl)-1H-pyrrole-3-carboxamide;phosphoric acid

Toceranib phosphate (SU11654 phosphate) is an orally active receptor tyrosine kinase (RTK) inhibitor, and it potently inhibits PDGFR, VEGFR, and Kit with Kis of 5 and 6 nM for PDGFRβ and Flk-1/KDR, respectively· Toceranib phosphate (SU11654 phosphate) has antitumor and antiangiogenic activity, and used in the treatment of canine mast cell tumors

ChemicalCAS874819-74-6MW494.45FormulaC22H28FN4O6P
CAS number
874819-74-6
Molecular weight
494.45
Formula
C22H28FN4O6P
Solubility
DMSO: 2·46 mg/mL (4·98 mM and warming); Water: < 0·1 mg/mL (insoluble)
InChIKey
AOORBROPMMRREB-HBPAQXCTSA-N
Catalogue number
GC37808
Brand
GLPBIO
Computed properties PubChem CID 16034840 · TPSA 155 Ų · H-bond donors 6 · H-bond acceptors 8
TPSA
155 Ų
H-bond donors
6
H-bond acceptors
8
Rotatable bonds
5
Heavy atoms
34

SMILES CC1=C(NC(=C1C(=O)NCCN2CCCC2)C)/C=C\3/C4=C(C=CC(=C4)F)NC3=O.OP(=O)(O)O

Computed descriptors from PubChem (CID 16034840), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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