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Chemical structure of SirReal1-O-propargyl

GC34741

SirReal1-O-propargyl

Also listed as PROTAC Sirt2-binding moiety 1

PROTAC Sirt2-binding moiety 1 is a selective and highly potent Sirtuin 2 (Sirt2) inhibitor, with an IC50 of 2·4 μM· PROTAC Sirt2-binding moiety 1, the SirReal1-based moiety, binds to the cereblon ligand via a linker to form PROTAC to degrade Sirt2

ChemicalCAS1862237-99-7MW424.54FormulaC21H20N4O2S2
CAS number
1862237-99-7
Molecular weight
424.54
Formula
C21H20N4O2S2
Solubility
Soluble in DMSO
InChIKey
ISDMLEKZQIHDDE-UHFFFAOYSA-N
Catalogue number
GC34741
Brand
GLPBIO
Computed properties PubChem CID 138319670 · XLogP 4.2 · TPSA 131 Ų · H-bond donors 1
XLogP
4.2
TPSA
131 Ų
H-bond donors
1
H-bond acceptors
7
Rotatable bonds
8
Heavy atoms
29

SMILES CC1=CC(=NC(=N1)SCC(=O)NC2=NC=C(S2)CC3=CC(=CC=C3)OCC#C)C

Computed descriptors from PubChem (CID 138319670), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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