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AXL-IN-14

CAT: 0804-HY-152075Size: 1 EachDry Ice: NoHazardous: No
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CAT#:0804-HY-152075Size:1 Each
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Description
AXL-IN-14 is a potent and orally active AXL inhibitor with an IC50 value of 0.8 nM. AXL-IN-14 inhibits Gas6/AXL-mediated cell migration and invasion. AXL-IN-14 decreases the expression of p-AXL and p-AKT proteins. AXL-IN-14 shows anti-tumor activity[1].
CAS Number
2947506-65-0
UNSPSC
12352005
Target
TAM Receptor
Type
Reference compound
Related Pathways
Protein Tyrosine Kinase/RTK
Applications
Cancer-Kinase/protease
Field of Research
Cancer
Assay Protocol
https://www.medchemexpress.com/axl-in-14.html
Solubility
10 mM in DMSO
Smiles
FC1=CC(NC(C2=CN(C=C(C2=O)C3=CC=C(C=C3)F)C(C)C)=O)=CC=C1OC4=CC=NC5=C4OC6=CC=CC=C6N5
Molecular Formula
C32H24F2N4O4
Molecular Weight
566.55
References & Citations
[1]Zhengsheng Zhan, et al. Discovery of 10H-Benzo[b]pyrido[2,3-e][1,4]oxazine AXL Inhibitors via Structure-Based Drug Design Targeting c-Met Kinase. J. Med. Chem. 2022.
Shipping Conditions
Room temperature
Scientific Category
Reference compound1
Clinical Information
No Development Reported
Isoform
Axl

Chemical Information

Axl-IN-14
CAS Number2947506-65-0
PubChem CID166642365
IUPAC Name5-(4-fluorophenyl)-N-[3-fluoro-4-(10H-pyrido[3,2-b][1,4]benzoxazin-4-yloxy)phenyl]-4-oxo-1-propan-2-ylpyridine-3-carboxamide
Molecular FormulaC32H24F2N4O4
Molecular Weight566.6
XLogP5.9
Topological Polar Surface Area92.8
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count9
Rotatable Bond Count6
Heavy Atom Count42
Formal Charge0
Complexity1060
SMILES
CC(C)N1C=C(C(=O)C(=C1)C(=O)NC2=CC(=C(C=C2)OC3=C4C(=NC=C3)NC5=CC=CC=C5O4)F)C6=CC=C(C=C6)F
InChI
InChI=1S/C32H24F2N4O4/c1-18(2)38-16-22(19-7-9-20(33)10-8-19)29(39)23(17-38)32(40)36-21-11-12-26(24(34)15-21)41-28-13-14-35-31-30(28)42-27-6-4-3-5-25(27)37-31/h3-18H,1-2H3,(H,35,37)(H,36,40)
InChIKey
IVRKZMDXSUEQLM-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Axl-IN-14
CAS: 2947506-65-0
CID: 166642365
Formula: C32H24F2N4O4
MW: 566.6
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight566.6
XLogP35.9
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count9
Rotatable Bond Count6
Exact Mass566.17656158
Monoisotopic Mass566.17656158
Topological Polar Surface Area92.8 Ų
Heavy Atom Count42
Formal Charge0
Complexity1060
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