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UK-122 TFA salt

CAT: 0013-GTR19224273-01Size: 1 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19224273-01Size:1 mg
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Description
UK-122 is a potent and selective urokinase-type plasminogen activator (uPA) inhibitor with a Ki of 20 nM and a cell-free IC50 of 0.2 μM. It exhibits minimal cytotoxicity (IC50 >100 μM) but significantly impedes the migration and invasion of pancreatic CFPAC-1 cancer cells in vitro, supporting its use in metastasis research.
CAS Number
1186653-73-5
Field of Research
Immunology & Inflammation, Metabolism Research
Smiles
C (C (O) =O) (F) (F) F.C (=C\1/N=C (OC1=O) C2=CC=CC=C2) \C3=CC=C (C (=N) N) C=C3
Molecular Formula
C19H14F3N3O4
Molecular Weight
405.33
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

4-[(E)-(5-oxo-2-phenyl-1,3-oxazol-4-ylidene)methyl]benzenecarboximidamide;2,2,2-trifluoroacetic acid
CAS Number1186653-73-5
PubChem CID25134287
IUPAC Name4-[(E)-(5-oxo-2-phenyl-1,3-oxazol-4-ylidene)methyl]benzenecarboximidamide;2,2,2-trifluoroacetic acid
Molecular FormulaC19H14F3N3O4
Molecular Weight405.3
Topological Polar Surface Area126
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count9
Rotatable Bond Count3
Heavy Atom Count29
Formal Charge0
Complexity593
SMILES
C1=CC=C(C=C1)C2=N/C(=C/C3=CC=C(C=C3)C(=N)N)/C(=O)O2.C(=O)(C(F)(F)F)O
InChI
InChI=1S/C17H13N3O2.C2HF3O2/c18-15(19)12-8-6-11(7-9-12)10-14-17(21)22-16(20-14)13-4-2-1-3-5-13;3-2(4,5)1(6)7/h1-10H,(H3,18,19);(H,6,7)/b14-10+;
InChIKey
KVCIDYPYQWLDKP-KMZJGFRYSA-N
Chemical Structure
2D Structure
2D structure of 4-[(E)-(5-oxo-2-phenyl-1,3-oxazol-4-ylidene)methyl]benzenecarboximidamide;2,2,2-trifluoroacetic acid
CAS: 1186653-73-5
CID: 25134287
Formula: C19H14F3N3O4
MW: 405.3
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight405.3
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count9
Rotatable Bond Count3
Exact Mass405.09364042
Monoisotopic Mass405.09364042
Topological Polar Surface Area126 Ų
Heavy Atom Count29
Formal Charge0
Complexity593
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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