Products for Research Use Only

KTX-497

CAT: 0013-GTR19221044-01Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19221044-01Size:5 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
KTX-497 is a potent and selective IRAK4 degrader with a DC50 of 3 nM. This small molecule is a valuable research tool for oncology, enabling the study of IRAK4's role in cancer cell signaling and tumor progression in both in vitro and in vivo models.
CAS Number
2432993-46-7
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] (CN2CCC3 (CC (C3) Nc3cccc4C (=O) N (C5CCC (=O) NC5=O) C (=O) c34) CC2) CC1
Molecular Formula
C45H49F3N8O6
Molecular Weight
854.92
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

N-[2-[4-[[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]-7-azaspiro[3.5]nonan-7-yl]methyl]cyclohexyl]-6-(2-hydroxypropan-2-yl)indazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide
CAS Number2432993-46-7
PubChem CID155449220
IUPAC NameN-[2-[4-[[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]-7-azaspiro[3.5]nonan-7-yl]methyl]cyclohexyl]-6-(2-hydroxypropan-2-yl)indazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide
Molecular FormulaC45H49F3N8O6
Molecular Weight854.9
XLogP5.4
Topological Polar Surface Area179
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count13
Rotatable Bond Count9
Heavy Atom Count62
Formal Charge0
Complexity1730
SMILES
CC(C)(C1=CC2=NN(C=C2C=C1NC(=O)C3=NC(=CC=C3)C(F)(F)F)C4CCC(CC4)CN5CCC6(CC5)CC(C6)NC7=CC=CC8=C7C(=O)N(C8=O)C9CCC(=O)NC9=O)O
InChI
InChI=1S/C45H49F3N8O6/c1-43(2,62)30-20-33-26(19-34(30)51-39(58)32-7-4-8-36(50-32)45(46,47)48)24-55(53-33)28-11-9-25(10-12-28)23-54-17-15-44(16-18-54)21-27(22-44)49-31-6-3-5-29-38(31)42(61)56(41(29)60)35-13-14-37(57)52-40(35)59/h3-8,19-20,24-25,27-28,35,49,62H,9-18,21-23H2,1-2H3,(H,51,58)(H,52,57,59)
InChIKey
DLTLPZXACUDKBE-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]-7-azaspiro[3.5]nonan-7-yl]methyl]cyclohexyl]-6-(2-hydroxypropan-2-yl)indazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide
CAS: 2432993-46-7
CID: 155449220
Formula: C45H49F3N8O6
MW: 854.9
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight854.9
XLogP35.4
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count13
Rotatable Bond Count9
Exact Mass854.37271580
Monoisotopic Mass854.37271580
Topological Polar Surface Area179 Ų
Heavy Atom Count62
Formal Charge0
Complexity1730
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