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Toceranib Phosphate

CAT: 0931-T7394-03Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0931-T7394-03Size:50 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
874819-74-6
Target
C-Kit, PDGFR, VEGFR, Tyrosinase
Related Pathways
Angiogenesis, Proteases/Proteasome, Tyrosine Kinase/Adaptors
Purity
0.9856
Bioactivity
Toceranib Phosphate (SU11654 phosphate), is a selective inhibitor of the tyrosine kinase activity of several members of the split kinase RTK family, including Flk-1/KDR, PDGFR
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
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

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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