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PROTAC IRAK4 ligand-4

CAT: 0013-GTR19240454-01Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19240454-01Size:50 mg
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Description
PROTAC IRAK4 ligand-4 is a small molecule ligand designed to bind IRAK4, serving as a key component in the synthesis of PROTAC degraders like IRAK4 degrader-12. It demonstrates anti-tumor activity in research settings and is used in both in vitro and in vivo studies to develop targeted cancer therapeutics.
CAS Number
2434841-55-9
Field of Research
Immunology & Inflammation, Pharmacology & Drug Discovery, Signal Transduction
Smiles
N (C (=O) C=1N=C (OC1) C=2C=C (NCC3CC3) N=CC2) C4=CN (N=C4C (F) F) [C@H]5CC[C@H] (C=O) CC5
Molecular Formula
C24H26F2N6O3
Molecular Weight
484.5
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

2-[2-(cyclopropylmethylamino)pyridin-4-yl]-N-[3-(difluoromethyl)-1-(4-formylcyclohexyl)pyrazol-4-yl]-1,3-oxazole-4-carboxamide
CAS Number2434841-55-9
PubChem CID146598804
IUPAC Name2-[2-(cyclopropylmethylamino)-4-pyridinyl]-N-[3-(difluoromethyl)-1-(4-formylcyclohexyl)pyrazol-4-yl]-1,3-oxazole-4-carboxamide
Molecular FormulaC24H26F2N6O3
Molecular Weight484.5
XLogP2.8
Topological Polar Surface Area115
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count9
Rotatable Bond Count9
Heavy Atom Count35
Formal Charge0
Complexity736
SMILES
C1CC1CNC2=NC=CC(=C2)C3=NC(=CO3)C(=O)NC4=CN(N=C4C(F)F)C5CCC(CC5)C=O
InChI
InChI=1S/C24H26F2N6O3/c25-22(26)21-18(11-32(31-21)17-5-3-15(12-33)4-6-17)29-23(34)19-13-35-24(30-19)16-7-8-27-20(9-16)28-10-14-1-2-14/h7-9,11-15,17,22H,1-6,10H2,(H,27,28)(H,29,34)
InChIKey
CKFRBTHREJJPGO-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 2-[2-(cyclopropylmethylamino)pyridin-4-yl]-N-[3-(difluoromethyl)-1-(4-formylcyclohexyl)pyrazol-4-yl]-1,3-oxazole-4-carboxamide
CAS: 2434841-55-9
CID: 146598804
Formula: C24H26F2N6O3
MW: 484.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight484.5
XLogP32.8
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count9
Rotatable Bond Count9
Exact Mass484.20344504
Monoisotopic Mass484.20344504
Topological Polar Surface Area115 Ų
Heavy Atom Count35
Formal Charge0
Complexity736
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Related Products

CatalogName
GTR19240546-01PROTAC IRAK4 ligand-5
GTR19218640-01PROTAC IRAK4 ligand-3
GTR19222241-01PROTAC IRAK4 degrader-4
GTR19264015-01PROTAC BRD4 ligand-4
GTR19222237-01PROTAC IRAK4 degrader-3
GTR19226849-01PROTAC IRAK4 degrader-1
GTR19222240-01PROTAC IRAK4 degrader-5
GTR19221536-01PROTAC IRAK4 degrader-2
GTR19240201-01PROTAC IRAK4 degrader-12
GTR19234058-01PROTAC IRAK4 degrader-10

Alternative Products

CatalogName
HY-168611PROTAC IRAK4 ligand-4
T81378-01PROTAC IRAK4 ligand-3
HY-168311PROTAC IRAK4 ligand-5
HY-129967-01PROTAC IRAK4 ligand-1
T39901-01PROTAC IRAK4 degrader-4
HY-175242PROTAC BRD4 ligand-4
T211884-01PROTAC IRAK4 degrader-13
T88159-01PROTAC IRAK4 degrader-10
MBS5800292PROTAC IRAK4 degrader-3
MBS5820758PROTAC IRAK4 degrader-8

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