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TRK-IN-28

CAT: 0804-HY-163366Size: 1 EachDry Ice: NoHazardous: No
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CAT#:0804-HY-163366Size:1 Each
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Description
TRK-IN-28 (compound 30f) is a TRK inhibitor with the IC50 values of 0.55 nM, 25.1 nM and 5.4 nM against TRKWT, TRKG595R and TRKG667C, respectively. TRK-IN-2 shows antiproliferative activity with IC50 values of 9.5, 3.7, 205.0 and 48.3 nM against Ba/F3-ETV6-TRKAWT, Ba/F3-ETV6-TRKBWT, Ba/F3-LMNA-TRKG595R and Ba/F3-LMNA-TRKAG667C, respectively[1].
CAS Number
2991504-43-7
UNSPSC
12352005
Target
Trk Receptor
Type
Reference compound
Related Pathways
Neuronal Signaling; Protein Tyrosine Kinase/RTK
Applications
Cancer-Kinase/protease
Field of Research
Cancer
Assay Protocol
https://www.medchemexpress.com/trk-in-28.html
Solubility
10 mM in DMSO
Smiles
FC1=CC(CC2=CC3=C(NN=C3NC4=C5C=CC(N6CCN(CC6)C)=CC5=NC=N4)C=C2)=CC(F)=C1
Molecular Formula
C27H25F2N7
Molecular Weight
485.53
References & Citations
[1]Xu Y, et al. Design, synthesis and evaluate of indazolylaminoquinazoline derivatives as potent Tropomyosin receptor kinase (TRK) inhibitors. Bioorg Med Chem. 2024;99:117608.
Shipping Conditions
Room temperature
Scientific Category
Reference compound1
Clinical Information
No Development Reported

Chemical Information

Trk-IN-28
CAS Number2991504-43-7
PubChem CID171034102
IUPAC NameN-[5-[(3,5-difluorophenyl)methyl]-1H-indazol-3-yl]-7-(4-methylpiperazin-1-yl)quinazolin-4-amine
Molecular FormulaC27H25F2N7
Molecular Weight485.5
XLogP5.4
Topological Polar Surface Area73
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count8
Rotatable Bond Count5
Heavy Atom Count36
Formal Charge0
Complexity712
SMILES
CN1CCN(CC1)C2=CC3=C(C=C2)C(=NC=N3)NC4=NNC5=C4C=C(C=C5)CC6=CC(=CC(=C6)F)F
InChI
InChI=1S/C27H25F2N7/c1-35-6-8-36(9-7-35)21-3-4-22-25(15-21)30-16-31-26(22)32-27-23-13-17(2-5-24(23)33-34-27)10-18-11-19(28)14-20(29)12-18/h2-5,11-16H,6-10H2,1H3,(H2,30,31,32,33,34)
InChIKey
ZJFBRVTUAWNZFO-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Trk-IN-28
CAS: 2991504-43-7
CID: 171034102
Formula: C27H25F2N7
MW: 485.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight485.5
XLogP35.4
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count8
Rotatable Bond Count5
Exact Mass485.21395015
Monoisotopic Mass485.21395015
Topological Polar Surface Area73 Ų
Heavy Atom Count36
Formal Charge0
Complexity712
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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