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KTX-612

CAT: 0013-GTR19221043-02Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19221043-02Size:50 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
KTX-612 is an orally bioavailable small molecule degrader of IRAK4 with a DC50 of 7 nM. It is a research tool used in oncology to investigate IRAK4's role in signaling pathways, with applications in both in vitro cellular studies and in vivo preclinical models.
CAS Number
2573298-14-1
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 (CNc4cccc5C (=O) N (C6CCC (=O) NC6=O) C (=O) c45) C3) CC2) CC1
Molecular Formula
C46H51F3N8O6
Molecular Weight
868.94
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]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

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