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Tasquinimod 500mg

CAT: 0628-A12616-500Size: 500 mgDry Ice: NoHazardous: No
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CAT#:0628-A12616-500Size:500 mg
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CAS Number
254964-60-8

Chemical Information

Tasquinimod

Tasquinimod is a quinoline-3-carboxamide linomide analogue with antiangiogenic and potential antineoplastic activities. Tasquinimod has been shown to decrease blood vessel density but the exact mechanism of action is not known. This agent has also been shown to augment the antineoplastic effects of docetaxel and androgen ablation in a murine model of prostate cancer involving human prostate cancer xenografts.

CAS Number254964-60-8
PubChem CID54682876
IUPAC Name4-hydroxy-5-methoxy-N,1-dimethyl-2-oxo-N-[4-(trifluoromethyl)phenyl]quinoline-3-carboxamide
Molecular FormulaC20H17F3N2O4
Molecular Weight406.4
XLogP3.5
Topological Polar Surface Area70.1
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count7
Rotatable Bond Count3
Heavy Atom Count29
Formal Charge0
Complexity686
SMILES
CN1C2=C(C(=CC=C2)OC)C(=C(C1=O)C(=O)N(C)C3=CC=C(C=C3)C(F)(F)F)O
InChI
InChI=1S/C20H17F3N2O4/c1-24(12-9-7-11(8-10-12)20(21,22)23)18(27)16-17(26)15-13(25(2)19(16)28)5-4-6-14(15)29-3/h4-10,26H,1-3H3
InChIKey
ONDYALNGTUAJDX-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Tasquinimod
CAS: 254964-60-8
CID: 54682876
Formula: C20H17F3N2O4
MW: 406.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight406.4
XLogP33.5
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count7
Rotatable Bond Count3
Exact Mass406.11404151
Monoisotopic Mass406.11404151
Topological Polar Surface Area70.1 Ų
Heavy Atom Count29
Formal Charge0
Complexity686
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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