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KTX-951

CAT: 0013-GTR19221040-01Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19221040-01Size:5 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
KTX-951 is a potent IRAK4-targeting PROTAC degrader with a DC50 of 18 nM. It shows 22% oral bioavailability in rats at 10 mg/kg and exhibits promising anticancer activity in research models, supporting its investigation in oncology and inflammation-related studies.
CAS Number
2573298-36-7
Field of Research
Immunology & Inflammation, Pharmacology & Drug Discovery, Signal Transduction
Smiles
COc1cc2nn (cc2cc1NC (=O) c1cccc (n1) C (C) (F) F) [C@H]1CC[C@H] (CN2CCC3 (CC (CCNc4cccc5C (=O) N (C6CCC (=O) NC6=O) C (=O) c45) C3) CC2) CC1
Molecular Formula
C46H52F2N8O6
Molecular Weight
850.95
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

CID 155437705
CAS Number2573298-36-7
PubChem CID155437705
IUPAC Name6-(1,1-difluoroethyl)-N-[2-[4-[[2-[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]ethyl]-7-azaspiro[3.5]nonan-7-yl]methyl]cyclohexyl]-6-methoxyindazol-5-yl]pyridine-2-carboxamide
Molecular FormulaC46H52F2N8O6
Molecular Weight851.0
XLogP6.5
Topological Polar Surface Area168
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count12
Rotatable Bond Count12
Heavy Atom Count62
Formal Charge0
Complexity1680
SMILES
CC(C1=CC=CC(=N1)C(=O)NC2=CC3=CN(N=C3C=C2OC)C4CCC(CC4)CN5CCC6(CC5)CC(C6)CCNC7=CC=CC8=C7C(=O)N(C8=O)C9CCC(=O)NC9=O)(F)F
InChI
InChI=1S/C46H52F2N8O6/c1-45(47,48)38-8-4-7-33(50-38)41(58)51-35-21-29-26-55(53-34(29)22-37(35)62-2)30-11-9-27(10-12-30)25-54-19-16-46(17-20-54)23-28(24-46)15-18-49-32-6-3-5-31-40(32)44(61)56(43(31)60)36-13-14-39(57)52-42(36)59/h3-8,21-22,26-28,30,36,49H,9-20,23-25H2,1-2H3,(H,51,58)(H,52,57,59)
InChIKey
XMUGELSEEJWFAK-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of CID 155437705
CAS: 2573298-36-7
CID: 155437705
Formula: C46H52F2N8O6
MW: 851.0
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight851.0
XLogP36.5
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count12
Rotatable Bond Count12
Exact Mass850.39778773
Monoisotopic Mass850.39778773
Topological Polar Surface Area168 Ų
Heavy Atom Count62
Formal Charge0
Complexity1680
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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HY-148290-01KTX-951
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