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Tilfrinib

CAT: 0931-T17098-02Size: 2 mgDry Ice: NoHazardous: No
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CAT#:0931-T17098-02Size:2 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
1600515-49-8
Target
BTK
Related Pathways
Angiogenesis, Tyrosine Kinase/Adaptors
Purity
0.9973
Bioactivity
Tilfrinib is an effective and selective inhibitor of breast tumor kinase (Brk, IC50 = 3.15 nM) which displays anti-proliferative and anti-tumor activities.
Smiles
Oc1cccc(Nc2ccnc3[nH]c4ccccc4c23)c1
Molecular Formula
C17H13N3O
Molecular Weight
275.3
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

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...
View on PubChemRaw 3D data
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

Alternative Products

CatalogName
BA8812-5.1Tilfrinib
A16086-10Tilfrinib 10mg
A16086-1Tilfrinib 1mg
A16086-50Tilfrinib 50mg
A16086-25Tilfrinib 25mg

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