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Mubritinib

CAT: 0013-GTR19171721-04Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19171721-04Size:25 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
Mubritinib (TAK-165) is a potent and selective small molecule inhibitor targeting the HER2/ErbB2 tyrosine kinase, demonstrating an IC50 of 6 nM. It has been utilized in preclinical research to investigate HER2-driven cancers, showing antitumor activity in both cellular assays and in vivo xenograft models.
CAS Number
366017-09-6
Product Name Alternative
PDGFR, JAK1, inhibit, Mubritinib, Inhibitor, HER2/ErbB2, HER1, ErbB-1, Epidermal growth factor receptor, EGFR, FGFR, TAK165, TAK-165, TAK 165
Field of Research
Cardiovascular Research, Epigenetics & Chromatin, Signal Transduction, Stem Cell & Developmental Biology
Purity
98.61% (May vary between batches)
Solubility
10% DMSO+90% Corn Oil:2 mg/mL (4.27 mM) ; DMSO:35.1 mg/mL (74.92 mM)
Smiles
FC (F) (F) c1ccc (\C=C\c2nc (COc3ccc (CCCCn4ccnn4) cc3) co2) cc1
Molecular Formula
C25H23F3N4O2
Molecular Weight
468.47
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

Mubritinib

Mubritinib has been used in trials studying the treatment of Lung Neoplasm, Renal Neoplasm, Breast Neoplasm, Ovarian Neoplasm, and Pancreatic Neoplasm.

CAS Number366017-09-6
PubChem CID6444692
IUPAC Name4-[[4-[4-(triazol-1-yl)butyl]phenoxy]methyl]-2-[(E)-2-[4-(trifluoromethyl)phenyl]ethenyl]-1,3-oxazole
Molecular FormulaC25H23F3N4O2
Molecular Weight468.5
XLogP5.4
Topological Polar Surface Area66
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count8
Rotatable Bond Count10
Heavy Atom Count34
Formal Charge0
Complexity620
SMILES
C1=CC(=CC=C1CCCCN2C=CN=N2)OCC3=COC(=N3)/C=C/C4=CC=C(C=C4)C(F)(F)F
InChI
InChI=1S/C25H23F3N4O2/c26-25(27,28)21-9-4-20(5-10-21)8-13-24-30-22(18-34-24)17-33-23-11-6-19(7-12-23)3-1-2-15-32-16-14-29-31-32/h4-14,16,18H,1-3,15,17H2/b13-8+
InChIKey
ZTFBIUXIQYRUNT-MDWZMJQESA-N
Chemical Structure
2D Structure
2D structure of Mubritinib
CAS: 366017-09-6
CID: 6444692
Formula: C25H23F3N4O2
MW: 468.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight468.5
XLogP35.4
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count8
Rotatable Bond Count10
Exact Mass468.17731048
Monoisotopic Mass468.17731048
Topological Polar Surface Area66 Ų
Heavy Atom Count34
Formal Charge0
Complexity620
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count1
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Alternative Products

CatalogName
FM32802-01Mubritinib
A10612-50Mubritinib 50mg
A10612-10Mubritinib 10mg
A10612-200Mubritinib 200mg
A10612-25Mubritinib 25mg
B1543-25Mubritinib (TAK 165)

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