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Tilfrinib

CAT: 1568-C03262-02Size: 25 mgDry Ice: NoHazardous: No
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CAT#:1568-C03262-02Size:25 mg
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CAS Number
1600515-49-8
SKU
C03262-5mg
Additionnal Information
Tilfrinib (Compound 4f) is a potent and selective inhibitor of the tyrosine-protein kinase Brk/PTK6, with an IC50 of 3.15 nM. It demonstrates significant anti-proliferative activity against breast cancer cell lines MCF7, HS-578T, and BT-549.

Chemical Information

Tilfrinib
CAS Number1600515-49-8
PubChem CID76332983
IUPAC Name3-(9H-pyrido[2,3-b]indol-4-ylamino)phenol
Molecular FormulaC17H13N3O
Molecular Weight275.30
XLogP3.8
Topological Polar Surface Area60.9
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count3
Rotatable Bond Count2
Heavy Atom Count21
Formal Charge0
Complexity364
SMILES
C1=CC=C2C(=C1)C3=C(C=CN=C3N2)NC4=CC(=CC=C4)O
InChI
InChI=1S/C17H13N3O/c21-12-5-3-4-11(10-12)19-15-8-9-18-17-16(15)13-6-1-2-7-14(13)20-17/h1-10,21H,(H2,18,19,20)
InChIKey
RXPZOSHFGJWSLQ-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Tilfrinib
CAS: 1600515-49-8
CID: 76332983
Formula: C17H13N3O
MW: 275.30
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight275.30
XLogP33.8
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count3
Rotatable Bond Count2
Exact Mass275.105862047
Monoisotopic Mass275.105862047
Topological Polar Surface Area60.9 Ų
Heavy Atom Count21
Formal Charge0
Complexity364
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