Products for Research Use Only

CH7057288

CAT: 0013-GTR19169565-02Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19169565-02Size:5 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
CH7057288 is a potent and selective pan-TRK inhibitor, demonstrating low nanomolar IC50 values against TRKA (1.1 nM), TRKB (7.8 nM), and TRKC (5.1 nM) . It is a valuable research tool for investigating TRK kinase biology in cellular assays and has shown utility in preclinical models of TRK-driven cancers.
CAS Number
2095616-82-1
Product Name Alternative
CH7057288, CH-7057288, CH 7057288, inhibit, Inhibitor, Tropomyosin related kinase receptor, Trkreceptor, Trk Receptor, Trk receptor, Trk
Field of Research
Signal Transduction
Purity
98.00% (May vary between batches)
Solubility
DMSO:34 mg/mL (59.68 mM) ;10% DMSO+40% PEG300+5% Tween 80+45% Saline:2 mg/mL (3.51 mM)
Smiles
Cc1cc (cc (n1) C#Cc1ccc2c3c (oc2c1) C (C) (C) c1cc (NS (C) (=O) =O) ccc1C3=O) C (=O) NC (C) (C) C
Molecular Formula
C32H31N3O5S
Molecular Weight
569.67
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

N-(tert-Butyl)-2-((6,6-dimethyl-8-(methylsulfonamido)-11-oxo-6,11-dihydronaphtho[2,3-b]benzofuran-3-yl)ethynyl)-6-methylisonicotinamide
CAS Number2095616-82-1
PubChem CID131839646
IUPAC NameN-tert-butyl-2-[2-[8-(methanesulfonamido)-6,6-dimethyl-11-oxonaphtho[2,3-b][1]benzofuran-3-yl]ethynyl]-6-methylpyridine-4-carboxamide
Molecular FormulaC32H31N3O5S
Molecular Weight569.7
XLogP5.3
Topological Polar Surface Area127
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count7
Rotatable Bond Count6
Heavy Atom Count41
Formal Charge0
Complexity1210
SMILES
CC1=CC(=CC(=N1)C#CC2=CC3=C(C=C2)C4=C(O3)C(C5=C(C4=O)C=CC(=C5)NS(=O)(=O)C)(C)C)C(=O)NC(C)(C)C
InChI
InChI=1S/C32H31N3O5S/c1-18-14-20(30(37)34-31(2,3)4)16-21(33-18)10-8-19-9-12-24-26(15-19)40-29-27(24)28(36)23-13-11-22(35-41(7,38)39)17-25(23)32(29,5)6/h9,11-17,35H,1-7H3,(H,34,37)
InChIKey
DCGOHGQJHJXBGW-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of N-(tert-Butyl)-2-((6,6-dimethyl-8-(methylsulfonamido)-11-oxo-6,11-dihydronaphtho[2,3-b]benzofuran-3-yl)ethynyl)-6-methylisonicotinamide
CAS: 2095616-82-1
CID: 131839646
Formula: C32H31N3O5S
MW: 569.7
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight569.7
XLogP35.3
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count7
Rotatable Bond Count6
Exact Mass569.19844227
Monoisotopic Mass569.19844227
Topological Polar Surface Area127 Ų
Heavy Atom Count41
Formal Charge0
Complexity1210
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