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Chemical structure of PROTAC Sirt2 Degrader-1

GC33418

PROTAC Sirt2 Degrader-1

Also known as N-[4-[4-[[3-[[2-[[2-(4,6-dimethylpyrimidin-2-yl)sulfanylacetyl]amino]-1,3-thiazol-5-yl]methyl]phenoxy]methyl]triazol-1-yl]butyl]-2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxyacetamide

PROTAC Sirt2 Degrader-1 is a SirReal-based PROTAC, acts as a Sirt2 degrader, composed of a highly potent and isotype-selective Sirt2 inhibitor, a linker, and a bona fide Cereblon ligand for E3 ubiquitin ligase· PROTAC Sirt2 Degrader-1 shows an IC50 of 0·25 μM for Sirt2, with no effect on Sirt1/Sirt3 (IC50s>100 μM)

ChemicalCAS2098487-75-1MW852.94FormulaC40H40N10O8S2
CAS number
2098487-75-1
Molecular weight
852.94
Formula
C40H40N10O8S2
Solubility
DMSO ： ≥ 100 mg/mL (117·24 mM);Water ： ＜ 0·1 mg/mL (insoluble)
InChIKey
GRYRXFYWVDWPQY-UHFFFAOYSA-N
Catalogue number
GC33418
Brand
GLPBIO
Computed properties PubChem CID 135397670 · XLogP 3.2 · TPSA 283 Ų · H-bond donors 3
XLogP
3.2
TPSA
283 Ų
H-bond donors
3
H-bond acceptors
15
Rotatable bonds
18
Heavy atoms
60

SMILES CC1=CC(=NC(=N1)SCC(=O)NC2=NC=C(S2)CC3=CC(=CC=C3)OCC4=CN(N=N4)CCCCNC(=O)COC5=CC=CC6=C5C(=O)N(C6=O)C7CCC(=O)NC7=O)C

Computed descriptors from PubChem (CID 135397670), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

Ordering in Israel

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Documents
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