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Thalidomide-azetidine-CHO

CAT: 0804-HY-45808Size: 1 EachDry Ice: NoHazardous: No
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Description
Thalidomide-azetidine-CHO is a synthesized Ligands for E3 Ligase that incorporates the Thalidomide based cereblon ligand used in PROTAC technology[1].
CAS Number
2416132-70-0
UNSPSC
12352005
Target
Ligands for E3 Ligase
Type
Reference compound
Related Pathways
PROTAC
Applications
Cancer-programmed cell death
Field of Research
Cancer
Assay Protocol
https://www.medchemexpress.com/thalidomide-azetidine-cho.html
Smiles
O=C1N(C2CCC(NC2=O)=O)C(C3=CC=C(N4CC(C=O)C4)C=C31)=O
Molecular Formula
C17H15N3O5
Molecular Weight
341.32
References & Citations
[1]Wuhan Humanwell Innovative Drug Research and Development Center Limited Company; Humanwell Healthcare (Group) Co., Ltd. Preparation of imidazopyridine compounds as IRAK4 degraders. China, CN117777126 A 2024-03-29
Shipping Conditions
Room temperature
Scientific Category
Reference compound1
Clinical Information
No Development Reported
Isoform
Cereblon

Chemical Information

Thalidomide-azetidine-CHO
CAS Number2416132-70-0
PubChem CID146485089
IUPAC Name1-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]azetidine-3-carbaldehyde
Molecular FormulaC17H15N3O5
Molecular Weight341.32
XLogP-0.3
Topological Polar Surface Area104
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count6
Rotatable Bond Count3
Heavy Atom Count25
Formal Charge0
Complexity657
SMILES
C1CC(=O)NC(=O)C1N2C(=O)C3=C(C2=O)C=C(C=C3)N4CC(C4)C=O
InChI
InChI=1S/C17H15N3O5/c21-8-9-6-19(7-9)10-1-2-11-12(5-10)17(25)20(16(11)24)13-3-4-14(22)18-15(13)23/h1-2,5,8-9,13H,3-4,6-7H2,(H,18,22,23)
InChIKey
DDKDMZOBOREUIY-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Thalidomide-azetidine-CHO
CAS: 2416132-70-0
CID: 146485089
Formula: C17H15N3O5
MW: 341.32
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight341.32
XLogP3-0.3
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count6
Rotatable Bond Count3
Exact Mass341.10117059
Monoisotopic Mass341.10117059
Topological Polar Surface Area104 Ų
Heavy Atom Count25
Formal Charge0
Complexity657
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