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KTX-955

CAT: 0013-GTR19221045-01Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19221045-01Size:5 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
KTX-955 is a potent and selective IRAK4 degrader with a DC50 of 5 nM for IRAK4 and 130 nM for Ikaros. This small molecule is a valuable research tool in oncology, supporting both in vitro and in vivo studies to investigate IRAK4's role in cancer signaling pathways.
CAS Number
2573302-50-6
Field of Research
Immunology & Inflammation, Pharmacology & Drug Discovery, Signal Transduction
Smiles
CC (C) (O) c1cc2nn (cc2cc1NC (=O) c1cccc (n1) C (F) (F) F) [C@H]1CC[C@H] (CN2CCC (CC2) O[C@H]2C[C@@H] (C2) Nc2cccc3C (=O) N (C4CCC (=O) NC4=O) C (=O) c23) CC1
Molecular Formula
C46H51F3N8O7
Molecular Weight
884.94
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

N-[2-[4-[[4-[3-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]cyclobutyl]oxypiperidin-1-yl]methyl]cyclohexyl]-6-(2-hydroxypropan-2-yl)indazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide
CAS Number2573302-50-6
PubChem CID165437239
IUPAC NameN-[2-[4-[[4-[3-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]cyclobutyl]oxypiperidin-1-yl]methyl]cyclohexyl]-6-(2-hydroxypropan-2-yl)indazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide
Molecular FormulaC46H51F3N8O7
Molecular Weight884.9
XLogP5.2
Topological Polar Surface Area188
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count14
Rotatable Bond Count11
Heavy Atom Count64
Formal Charge0
Complexity1750
SMILES
CC(C)(C1=CC2=NN(C=C2C=C1NC(=O)C3=NC(=CC=C3)C(F)(F)F)C4CCC(CC4)CN5CCC(CC5)OC6CC(C6)NC7=CC=CC8=C7C(=O)N(C8=O)C9CCC(=O)NC9=O)O
InChI
InChI=1S/C46H51F3N8O7/c1-45(2,63)32-22-35-26(19-36(32)52-41(59)34-7-4-8-38(51-34)46(47,48)49)24-56(54-35)28-11-9-25(10-12-28)23-55-17-15-29(16-18-55)64-30-20-27(21-30)50-33-6-3-5-31-40(33)44(62)57(43(31)61)37-13-14-39(58)53-42(37)60/h3-8,19,22,24-25,27-30,37,50,63H,9-18,20-21,23H2,1-2H3,(H,52,59)(H,53,58,60)
InChIKey
KLKZEZBWHOQDRM-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of N-[2-[4-[[4-[3-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]cyclobutyl]oxypiperidin-1-yl]methyl]cyclohexyl]-6-(2-hydroxypropan-2-yl)indazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide
CAS: 2573302-50-6
CID: 165437239
Formula: C46H51F3N8O7
MW: 884.9
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight884.9
XLogP35.2
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count14
Rotatable Bond Count11
Exact Mass884.38328048
Monoisotopic Mass884.38328048
Topological Polar Surface Area188 Ų
Heavy Atom Count64
Formal Charge0
Complexity1750
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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