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NEK7 degrader-2

CAT: 0804-HY-177559Size: 1 EachDry Ice: NoHazardous: No
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CAT#:0804-HY-177559Size:1 Each
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Description
NEK7 degrader-2 (Compound 25) is a NEK7 degrader. NEK7 degrader-2 shows dose-dependent NEK7 degradation ability in human PBMC-derived macrophages. NEK7 degrader-2 reduce the release level of pro-inflammatory cytokines IL-1β induced by NLRP3 inflammasome activation. NEK7 degrader-2 can be used for the study of inflammatory diseases[1].
CAS Number
3037413-54-7
UNSPSC
12352005
Target
Interleukin Related; NEKs; NOD-like Receptor (NLR)
Related Pathways
Cell Cycle/DNA Damage; Immunology/Inflammation
Field of Research
Inflammation/Immunology
Smiles
O=C1NC(C(CC1)N2C(C3=CC=C(C4NCCCC4)C=C3C2C)=O)=O
Molecular Formula
C19H23N3O3
Molecular Weight
341.40
References & Citations
[1]COTTENS, et al. NEK7 DEGRADERS AND METHODS OF USE THEREOF. WO 2024/096753 A1. World Intellectual Property Organization (WIPO) . 10.05.2024
Shipping Conditions
Room temperature
Scientific Category
Reference compound1
Clinical Information
No Development Reported
Isoform
IL-1; NEK7; NLRP3

Chemical Information

3-(1-methyl-3-oxo-6-piperidin-2-yl-1H-isoindol-2-yl)piperidine-2,6-dione
CAS Number3037413-54-7
PubChem CID171545812
IUPAC Name3-(1-methyl-3-oxo-6-piperidin-2-yl-1H-isoindol-2-yl)piperidine-2,6-dione
Molecular FormulaC19H23N3O3
Molecular Weight341.4
XLogP0.8
Topological Polar Surface Area78.5
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count2
Heavy Atom Count25
Formal Charge0
Complexity578
SMILES
CC1C2=C(C=CC(=C2)C3CCCCN3)C(=O)N1C4CCC(=O)NC4=O
InChI
InChI=1S/C19H23N3O3/c1-11-14-10-12(15-4-2-3-9-20-15)5-6-13(14)19(25)22(11)16-7-8-17(23)21-18(16)24/h5-6,10-11,15-16,20H,2-4,7-9H2,1H3,(H,21,23,24)
InChIKey
FYFBVKTYVAPDKI-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 3-(1-methyl-3-oxo-6-piperidin-2-yl-1H-isoindol-2-yl)piperidine-2,6-dione
CAS: 3037413-54-7
CID: 171545812
Formula: C19H23N3O3
MW: 341.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight341.4
XLogP30.8
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count2
Exact Mass341.17394160
Monoisotopic Mass341.17394160
Topological Polar Surface Area78.5 Ų
Heavy Atom Count25
Formal Charge0
Complexity578
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count3
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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