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Tirbanibulin (Standard)

CAT: 0804-HY-10340R-01Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0804-HY-10340R-01Size:5 mg
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Description
Tirbanibulin (Standard) is the analytical standard of Tirbanibulin. This product is intended for research and analytical applications. Tirbanibulin (KX2-391) is an inhibitor of Src that targets the peptide substrate site of Src, with GI50 of 9-60 nM in cancer cell lines.
CAS Number
897016-82-9
Product Name Alternative
KX2-391 (Standard) ; KX-01 (Standard)
UNSPSC
12352005
Target
Microtubule/Tubulin; Reference Standards; Src
Related Pathways
Cell Cycle/DNA Damage; Cytoskeleton; Others; Protein Tyrosine Kinase/RTK
Field of Research
Cancer
Smiles
O=C(CC1=NC=C(C2=CC=C(OCCN3CCOCC3)C=C2)C=C1)NCC4=CC=CC=C4
Molecular Formula
C26H29N3O3
Molecular Weight
431.53
References & Citations
[1]Lau GM, et al. Expression of Src and FAK in hepatocellular carcinoma and the effect of Src inhibitors on hepatocellular carcinoma in vitro. Dig Dis Sci, 2009, 54 (7), 1465-1474.|[2]Fallah-Tafti A, et al. Thiazolyl N-benzyl-substituted acetamide derivatives: synthesis, Src kinase inhibitory and anticancer activities. Eur J Med Chem, 2011, 46 (10), 4853-4858.
Shipping Conditions
Room temperature
Scientific Category
Reference Standards

Chemical Information

Tirbanibulin

Tirbanibulin is a member of the class of pyridines that is pyridine substituted by 2-(benzylamino)-2-oxoethyl and 4-[2-(morpholin-4-yl)ethoxy]phenyl groups at positions 2 and 5, respectively. It is a dual inhibitor of Src kinase and tubulin and approved by the FDA for the topical treatment of actinic keratosis on the face or scalp. It has a role as an antineoplastic agent, a microtubule-destabilising agent, an apoptosis inducer and an EC 2.7.10.2 (non-specific protein-tyrosine kinase) inhibitor. It is a secondary carboxamide, a member of pyridines, an aromatic ether and a member of morpholines.

CAS Number897016-82-9
PubChem CID23635314
IUPAC NameN-benzyl-2-[5-[4-(2-morpholin-4-ylethoxy)phenyl]-2-pyridinyl]acetamide
Molecular FormulaC26H29N3O3
Molecular Weight431.5
XLogP2.9
Topological Polar Surface Area63.7
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count5
Rotatable Bond Count9
Heavy Atom Count32
Formal Charge0
Complexity540
SMILES
C1COCCN1CCOC2=CC=C(C=C2)C3=CN=C(C=C3)CC(=O)NCC4=CC=CC=C4
InChI
InChI=1S/C26H29N3O3/c30-26(28-19-21-4-2-1-3-5-21)18-24-9-6-23(20-27-24)22-7-10-25(11-8-22)32-17-14-29-12-15-31-16-13-29/h1-11,20H,12-19H2,(H,28,30)
InChIKey
HUNGUWOZPQBXGX-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Tirbanibulin
CAS: 897016-82-9
CID: 23635314
Formula: C26H29N3O3
MW: 431.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight431.5
XLogP32.9
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count5
Rotatable Bond Count9
Exact Mass431.22089180
Monoisotopic Mass431.22089180
Topological Polar Surface Area63.7 Ų
Heavy Atom Count32
Formal Charge0
Complexity540
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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S2700-200mgTirbanibulin
564393Tirbanibulin mesylate
T15674Tirbanibulin dihydrochloride
201686Tirbanibulin HCl

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