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PROTAC α-synuclein degrader 5

CAT: 0804-HY-155021-01Size: 1 mgDry Ice: NoHazardous: No
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CAT#:0804-HY-155021-01Size:1 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
PROTAC α-synuclein degrader 5 is a highly selective small-molecule degrader (PROTAC) of α-synuclein aggregates, with a DC50 of 7.51 μM and the highest degradation rate Dmax of 89%. PROTAC α-synuclein degrader 5 contains probe molecule sery308 and E3 ligase ligands. PROTAC α-synuclein degrader 5 can be used for neurological disease research[1].
CAS Number
2781922-42-5
UNSPSC
12352005
Target
PROTACs; α-synuclein
Type
Reference compound
Related Pathways
Neuronal Signaling; PROTAC
Applications
Neuroscience-Neurodegeneration
Field of Research
Neurological Disease
Assay Protocol
https://www.medchemexpress.com/protac-α-synuclein-degrader-5.html
Purity
99.95
Solubility
DMSO : ≥ 100 mg/mL
Smiles
O=C(NCCOCCOCCOCCNC1=CC=CC(C(N2C3C(NC(CC3)=O)=O)=O)=C1C2=O)CNC4=CC(C5=CC(C6=CC7=C(C=C6)OCO7)=NN5)=CC=C4
Molecular Formula
C39H41N7O10
Molecular Weight
767.78
References & Citations
[1]Yichen Tong, et.al. Discovery of Small-Molecule Degraders for Alpha-Synuclein Aggregates. Journal of Medicinal Chemistry 2023 66 (12), 7926-7942
Shipping Conditions
Blue Ice
Storage Conditions
-20°C (Powder, sealed storage, away from moisture and light)
Scientific Category
Reference compound1
Clinical Information
No Development Reported
Isoform
α-synuclein Aggregation

Chemical Information

PROTAC alpha-synuclein degrader 5
CAS Number2781922-42-5
PubChem CID168476153
IUPAC Name2-[3-[5-(1,3-benzodioxol-5-yl)-1H-pyrazol-3-yl]anilino]-N-[2-[2-[2-[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]ethoxy]ethoxy]ethoxy]ethyl]acetamide
Molecular FormulaC39H41N7O10
Molecular Weight767.8
XLogP2.7
Topological Polar Surface Area212
Hydrogen Bond Donor Count5
Hydrogen Bond Acceptor Count13
Rotatable Bond Count19
Heavy Atom Count56
Formal Charge0
Complexity1370
SMILES
C1CC(=O)NC(=O)C1N2C(=O)C3=C(C2=O)C(=CC=C3)NCCOCCOCCOCCNC(=O)CNC4=CC=CC(=C4)C5=NNC(=C5)C6=CC7=C(C=C6)OCO7
InChI
InChI=1S/C39H41N7O10/c47-34-10-8-31(37(49)43-34)46-38(50)27-5-2-6-28(36(27)39(46)51)40-11-13-52-15-17-54-18-16-53-14-12-41-35(48)22-42-26-4-1-3-24(19-26)29-21-30(45-44-29)25-7-9-32-33(20-25)56-23-55-32/h1-7,9,19-21,31,40,42H,8,10-18,22-23H2,(H,41,48)(H,44,45)(H,43,47,49)
InChIKey
IYFKRANQUJUTKF-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of PROTAC alpha-synuclein degrader 5
CAS: 2781922-42-5
CID: 168476153
Formula: C39H41N7O10
MW: 767.8
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight767.8
XLogP32.7
Hydrogen Bond Donor Count5
Hydrogen Bond Acceptor Count13
Rotatable Bond Count19
Exact Mass767.29149053
Monoisotopic Mass767.29149053
Topological Polar Surface Area212 Ų
Heavy Atom Count56
Formal Charge0
Complexity1370
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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