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Telatinib (BAY 57-9352)

CAT: 0607-A8550-50Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0607-A8550-50Size:50 mg
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Description
VEGFR-2/-3,PDGFR-β and c-Kit inhibitor
CAS Number
332012-40-5
Product Name Alternative
4-[[4-(4-chloroanilino)furo[2,3-d]pyridazin-7-yl]oxymethyl]-N-methylpyridine-2-carboxamide
Sequence
BAY 579352;BAY 57 9352
Field of Research
Tyrosine Kinase VEGFR
Purity
0.98
Form
A solid
Solubility
insoluble in H2O; insoluble in EtOH; ≥20.5 mg/mL in DMSO
Smiles
CNC(=O)C1=NC=CC(=C1)COC2=NN=C(C3=C2OC=C3)NC4=CC=C(C=C4)Cl
Molecular Formula
C20H16ClN5O3
Molecular Weight
409.83
Shipping Conditions
Blue ice
Storage Conditions
Store at -20°C.

Chemical Information

Telatinib

Telatinib is a member of the class of furopyridazines that is furo[2,3-d]pyridazine substituted by (4-chlorophenyl)amino and [2-(methylcarbamoyl)pyridin-4-yl]methoxy groups at positions 4 and 7, respectively. It is a potent inhibitor of VEGFR2/3, c-Kit and PDGFRalpha. It has a role as an antineoplastic agent, an angiogenesis inhibitor, an EC 2.7.10.1 (receptor protein-tyrosine kinase) inhibitor, a vascular endothelial growth factor receptor antagonist and an apoptosis inducer. It is a member of anilines, a furopyridazine, a pyridinecarboxamide, an aromatic ether and a member of monochlorobenzenes.

CAS Number332012-40-5
PubChem CID9808844
IUPAC Name4-[[4-(4-chloroanilino)furo[2,3-d]pyridazin-7-yl]oxymethyl]-N-methylpyridine-2-carboxamide
Molecular FormulaC20H16ClN5O3
Molecular Weight409.8
XLogP3.1
Topological Polar Surface Area102
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count7
Rotatable Bond Count6
Heavy Atom Count29
Formal Charge0
Complexity548
SMILES
CNC(=O)C1=NC=CC(=C1)COC2=NN=C(C3=C2OC=C3)NC4=CC=C(C=C4)Cl
InChI
InChI=1S/C20H16ClN5O3/c1-22-19(27)16-10-12(6-8-23-16)11-29-20-17-15(7-9-28-17)18(25-26-20)24-14-4-2-13(21)3-5-14/h2-10H,11H2,1H3,(H,22,27)(H,24,25)
InChIKey
QFCXANHHBCGMAS-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Telatinib
CAS: 332012-40-5
CID: 9808844
Formula: C20H16ClN5O3
MW: 409.8
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight409.8
XLogP33.1
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count7
Rotatable Bond Count6
Exact Mass409.0941671
Monoisotopic Mass409.0941671
Topological Polar Surface Area102 Ų
Heavy Atom Count29
Formal Charge0
Complexity548
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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