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CG 428

CAT: 0931-T41224-02Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0931-T41224-02Size:5 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
2412055-93-5
Target
Trk receptor, PROTACs
Related Pathways
PROTAC, Tyrosine Kinase/Adaptors
Purity
0.9986
Bioactivity
CG 428 is a potent tropomyosin receptor Kinase (TRK) Degrader (uSMITETM) with a DC50 of 0.36 nM. CG 428 comprises an analog of the pan-TRK inhibitor GNF-8625 joined by a linker to the cereblon E3 ligase ligand pomalidomide. CG 428 shows selectivity for TRKA over TRKC and TRKB with Kds of 1nM, 4.2 nM, and 28 nM. CG 428 inhibits the growth of KM12 colon cancer cells with an IC50 of 2.9 nM.
Smiles
O=C1C=2C(C(=O)N1C3C(=O)NC(=O)CC3)=CC=CC2NCCOCCC(=O)N4CCN(CC4)C=5N=C(C=CC5)C=6N7C(=NC6)C=CC(=N7)N8[C@H](CCC8)C9=CC(F)=CC=C9
Molecular Formula
C43H43FN10O6
Molecular Weight
814.86
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

2-(2,6-dioxopiperidin-3-yl)-4-[2-[3-[4-[6-[6-[(2R)-2-(3-fluorophenyl)pyrrolidin-1-yl]imidazo[1,2-b]pyridazin-3-yl]-2-pyridinyl]piperazin-1-yl]-3-oxopropoxy]ethylamino]isoindole-1,3-dione
CAS Number2412055-93-5
PubChem CID146410727
IUPAC Name2-(2,6-dioxopiperidin-3-yl)-4-[2-[3-[4-[6-[6-[(2R)-2-(3-fluorophenyl)pyrrolidin-1-yl]imidazo[1,2-b]pyridazin-3-yl]-2-pyridinyl]piperazin-1-yl]-3-oxopropoxy]ethylamino]isoindole-1,3-dione
Molecular FormulaC43H43FN10O6
Molecular Weight814.9
XLogP3.5
Topological Polar Surface Area175
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count13
Rotatable Bond Count12
Heavy Atom Count60
Formal Charge0
Complexity1590
SMILES
C1C[C@@H](N(C1)C2=NN3C(=NC=C3C4=NC(=CC=C4)N5CCN(CC5)C(=O)CCOCCNC6=CC=CC7=C6C(=O)N(C7=O)C8CCC(=O)NC8=O)C=C2)C9=CC(=CC=C9)F
InChI
InChI=1S/C43H43FN10O6/c44-28-6-1-5-27(25-28)32-10-4-18-52(32)37-14-13-35-46-26-34(54(35)49-37)30-8-3-11-36(47-30)50-19-21-51(22-20-50)39(56)16-23-60-24-17-45-31-9-2-7-29-40(31)43(59)53(42(29)58)33-12-15-38(55)48-41(33)57/h1-3,5-9,11,13-14,25-26,32-33,45H,4,10,12,15-24H2,(H,48,55,57)/t32-,33?/m1/s1
InChIKey
FWANKJAOTQAHHR-KWRHIPAJSA-N
Chemical Structure
2D Structure
2D structure of 2-(2,6-dioxopiperidin-3-yl)-4-[2-[3-[4-[6-[6-[(2R)-2-(3-fluorophenyl)pyrrolidin-1-yl]imidazo[1,2-b]pyridazin-3-yl]-2-pyridinyl]piperazin-1-yl]-3-oxopropoxy]ethylamino]isoindole-1,3-dione
CAS: 2412055-93-5
CID: 146410727
Formula: C43H43FN10O6
MW: 814.9
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight814.9
XLogP33.5
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count13
Rotatable Bond Count12
Exact Mass814.33510729
Monoisotopic Mass814.33510729
Topological Polar Surface Area175 Ų
Heavy Atom Count60
Formal Charge0
Complexity1590
Isotope Atom Count0
Defined Atom Stereocenter Count1
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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