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Toceranib Phosphate

CAT: 0013-GTR19167648-01Size: 10 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19167648-01Size:10 mg
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Description
Toceranib phosphate (SU11654 phosphate) is a selective tyrosine kinase inhibitor targeting receptors such as Flk-1/KDR and PDGFR. It has been utilized in preclinical in vitro and in vivo studies within oncology research, particularly for investigating angiogenesis and tumor cell proliferation.
CAS Number
874819-74-6
Product Name Alternative
Toceranib Phosphate, Toceranib, PHA 291639E, PHA 291639 Phosphate, PHA291639 Phosphate, PHA-291639 Phosphate, PHA 291639 phosphate, SCFR, SU 11654 Phosphate, SU 11654, SU11654 Phosphate, SU11654 phosphate, SU-11654 Phosphate, SU-11654, SU11654, tyrosine kinase, VEGFR, Vascular endothelial growth factor receptor, CD117, cKit, c-Kit, inhibit, PDGFR, Platelet-derived growth factor receptor, Inhibitor
Field of Research
Cardiovascular Research, Protein Biochemistry, Signal Transduction
Purity
98.00% (May vary between batches)
Solubility
DMSO:Slightly soluble
Smiles
OP (O) (O) =O.Cc1[nH]c (\C=C2/C (=O) Nc3ccc (F) cc23) c (C) c1C (=O) NCCN1CCCC1
Molecular Formula
C22H28FN4O6P
Molecular Weight
494.45
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

Toceranib Phosphate

a tyrosine kinase inhibitor; structure in first source

CAS Number874819-74-6
PubChem CID16034840
IUPAC Name5-[(Z)-(5-fluoro-2-oxo-1H-indol-3-ylidene)methyl]-2,4-dimethyl-N-(2-pyrrolidin-1-ylethyl)-1H-pyrrole-3-carboxamide;phosphoric acid
Molecular FormulaC22H28FN4O6P
Molecular Weight494.5
Topological Polar Surface Area155
Hydrogen Bond Donor Count6
Hydrogen Bond Acceptor Count8
Rotatable Bond Count5
Heavy Atom Count34
Formal Charge0
Complexity713
SMILES
CC1=C(NC(=C1C(=O)NCCN2CCCC2)C)/C=C\3/C4=C(C=CC(=C4)F)NC3=O.OP(=O)(O)O
InChI
InChI=1S/C22H25FN4O2.H3O4P/c1-13-19(12-17-16-11-15(23)5-6-18(16)26-21(17)28)25-14(2)20(13)22(29)24-7-10-27-8-3-4-9-27;1-5(2,3)4/h5-6,11-12,25H,3-4,7-10H2,1-2H3,(H,24,29)(H,26,28);(H3,1,2,3,4)/b17-12-;
InChIKey
AOORBROPMMRREB-HBPAQXCTSA-N
Chemical Structure
2D Structure
2D structure of Toceranib Phosphate
CAS: 874819-74-6
CID: 16034840
Formula: C22H28FN4O6P
MW: 494.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight494.5
Hydrogen Bond Donor Count6
Hydrogen Bond Acceptor Count8
Rotatable Bond Count5
Exact Mass494.17304979
Monoisotopic Mass494.17304979
Topological Polar Surface Area155 Ų
Heavy Atom Count34
Formal Charge0
Complexity713
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count1
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count2
Compound Is CanonicalizedYes

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