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KTX-612

CAT: 0931-T74667-02Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0931-T74667-02Size:50 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
2573298-14-1
Target
Others, PROTACs, IRAK
Related Pathways
PROTAC, Others, NF-κB, Immunology/Inflammation
Bioactivity
KTX-612 is a compound that serves as an orally active IRAK4 degrader, exhibiting a DC50 value of 7 nM. It is primarily utilized in oncology research [1].
Smiles
CC(C)(O)c1cc2nn(cc2cc1NC(=O)c1cccc(n1)C(F)(F)F)[C@H]1CC[C@H](CN2CCC3(CC(CNc4cccc5C(=O)N(C6CCC(=O)NC6=O)C(=O)c45)C3)CC2)CC1
Molecular Formula
C46H51F3N8O6
Molecular Weight
868.94
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

N-[2-[4-[[2-[[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]methyl]-7-azaspiro[3.5]nonan-7-yl]methyl]cyclohexyl]-6-(2-hydroxypropan-2-yl)indazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide
CAS Number2573298-14-1
PubChem CID165437240
IUPAC NameN-[2-[4-[[2-[[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]methyl]-7-azaspiro[3.5]nonan-7-yl]methyl]cyclohexyl]-6-(2-hydroxypropan-2-yl)indazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide
Molecular FormulaC46H51F3N8O6
Molecular Weight868.9
XLogP6.1
Topological Polar Surface Area179
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count13
Rotatable Bond Count10
Heavy Atom Count63
Formal Charge0
Complexity1740
SMILES
CC(C)(C1=CC2=NN(C=C2C=C1NC(=O)C3=NC(=CC=C3)C(F)(F)F)C4CCC(CC4)CN5CCC6(CC5)CC(C6)CNC7=CC=CC8=C7C(=O)N(C8=O)C9CCC(=O)NC9=O)O
InChI
InChI=1S/C46H51F3N8O6/c1-44(2,63)31-20-34-28(19-35(31)52-40(59)33-7-4-8-37(51-33)46(47,48)49)25-56(54-34)29-11-9-26(10-12-29)24-55-17-15-45(16-18-55)21-27(22-45)23-50-32-6-3-5-30-39(32)43(62)57(42(30)61)36-13-14-38(58)53-41(36)60/h3-8,19-20,25-27,29,36,50,63H,9-18,21-24H2,1-2H3,(H,52,59)(H,53,58,60)
InChIKey
IWOVTMLUFGDAGD-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of N-[2-[4-[[2-[[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]methyl]-7-azaspiro[3.5]nonan-7-yl]methyl]cyclohexyl]-6-(2-hydroxypropan-2-yl)indazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide
CAS: 2573298-14-1
CID: 165437240
Formula: C46H51F3N8O6
MW: 868.9
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight868.9
XLogP36.1
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count13
Rotatable Bond Count10
Exact Mass868.38836586
Monoisotopic Mass868.38836586
Topological Polar Surface Area179 Ų
Heavy Atom Count63
Formal Charge0
Complexity1740
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

Related Products

CatalogName
T88250-01DMS-612
T82768-01CBLB 612
T80483-01Aam-KTX
T206219-01KTX-005
T74666-01KTX-497
T74664-01KTX-582
T74670-01KTX-951
T74665-01KTX-955
T80497-01KTX-Sp2
TMPY-03431-01HDAC4 Protein, Human, Recombinant (aa 612-1084)

Alternative Products

CatalogName
HY-148277KTX-612
MBS5824418CBLB 612
GTR19233964-01DMS-612
HY-148290-01KTX-951
HY-P5870KTX-Sp2
GTR19221047-01KTX-582
HY-P5853Aam-KTX
HY-173031KTX-005
HY-148275KTX-955
HY-148276KTX-497

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