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Chemical structure of PROTAC α-synuclein degrader 5

GC71315

PROTAC α-synuclein degrader 5

Also known as 2-[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

PROTAC α-synuclein degrader 5 is a highly selective small-molecule degraders (PROTAC) of α-synuclein aggregates, with an DC50 of 7·51 μM and the highest degradation rate Dmax of 89%

ChemicalCAS2781922-42-5MW767.78FormulaC39H41N7O10
CAS number
2781922-42-5
Molecular weight
767.78
Formula
C39H41N7O10
Solubility
DMSO ： ≥ 100 mg/mL (130·25 mM)
InChIKey
IYFKRANQUJUTKF-UHFFFAOYSA-N
Catalogue number
GC71315
Brand
GLPBIO
Computed properties PubChem CID 168476153 · XLogP 2.7 · TPSA 212 Ų · H-bond donors 5
XLogP
2.7
TPSA
212 Ų
H-bond donors
5
H-bond acceptors
13
Rotatable bonds
19
Heavy atoms
56

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

Computed descriptors from PubChem (CID 168476153), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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