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Labuxtinib

CAT: 0013-GTR19219728-05Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19219728-05Size:25 mg
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Description
Labutinib is a small molecule research compound that selectively targets and inhibits the c-kit tyrosine kinase. It is utilized in both in vitro and in vivo studies to investigate oncogenic signaling pathways, particularly in cancers like gastrointestinal stromal tumors (GIST) and mast cell disorders.
CAS Number
1426449-01-5
Product Name Alternative
CKit, c-Kit, EGFR
Field of Research
Cardiovascular Research, Signal Transduction
Purity
99.77% (May vary between batches)
Solubility
DMSO:55 mg/mL (145.75 mM)
Smiles
C (NC1=CC (=CC=C1C) C=2N=C (ON2) [C@@H]3[C@@H] (F) C3) (=O) C=4N5C (=NC4) C=CC=C5
Molecular Formula
C20H16FN5O2
Molecular Weight
377.37
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

Labuxtinib

Labuxtinib is a small molecule drug. The usage of the INN stem '-tinib' in the name indicates that Labuxtinib is a tyrosine kinase inhibitor. Labuxtinib has a monoisotopic molecular weight of 377.13 Da.

CAS Number1426449-01-5
PubChem CID71280305
IUPAC NameN-[5-[5-[(1R,2S)-2-fluorocyclopropyl]-1,2,4-oxadiazol-3-yl]-2-methylphenyl]imidazo[1,2-a]pyridine-3-carboxamide
Molecular FormulaC20H16FN5O2
Molecular Weight377.4
XLogP3.8
Topological Polar Surface Area85.3
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count6
Rotatable Bond Count4
Heavy Atom Count28
Formal Charge0
Complexity595
SMILES
CC1=C(C=C(C=C1)C2=NOC(=N2)[C@H]3C[C@@H]3F)NC(=O)C4=CN=C5N4C=CC=C5
InChI
InChI=1S/C20H16FN5O2/c1-11-5-6-12(18-24-20(28-25-18)13-9-14(13)21)8-15(11)23-19(27)16-10-22-17-4-2-3-7-26(16)17/h2-8,10,13-14H,9H2,1H3,(H,23,27)/t13-,14-/m0/s1
InChIKey
RHNJOZCVGSBEAG-KBPBESRZSA-N
Chemical Structure
2D Structure
2D structure of Labuxtinib
CAS: 1426449-01-5
CID: 71280305
Formula: C20H16FN5O2
MW: 377.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight377.4
XLogP33.8
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count6
Rotatable Bond Count4
Exact Mass377.12880293
Monoisotopic Mass377.12880293
Topological Polar Surface Area85.3 Ų
Heavy Atom Count28
Formal Charge0
Complexity595
Isotope Atom Count0
Defined Atom Stereocenter Count2
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Alternative Products

CatalogName
BA8872-1Labuxtinib

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