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Chemical structure of Sirt2-IN-1

GC34785

Sirt2-IN-1

Also known as N-[5-[[3-[(1-benzyltriazol-4-yl)methoxy]phenyl]methyl]-1,3-thiazol-2-yl]-2-(4,6-dimethylpyrimidin-2-yl)sulfanylacetamide

Sirt2-IN-1 (Compound 9) is a sirtuin 2 (Sirt2) inhibitor with an IC50 of 163 nM

ChemicalCAS1862238-00-3MW557.69FormulaC28H27N7O2S2
CAS number
1862238-00-3
Molecular weight
557.69
Formula
C28H27N7O2S2
Solubility
DMSO ： 150 mg/mL (268·97 mM);Water ： ＜ 0·1 mg/mL (insoluble)
InChIKey
YWLNYZXFIAFWSF-UHFFFAOYSA-N
Catalogue number
GC34785
Brand
GLPBIO
Computed properties PubChem CID 112499922 · XLogP 4.9 · TPSA 161 Ų · H-bond donors 1
XLogP
4.9
TPSA
161 Ų
H-bond donors
1
H-bond acceptors
9
Rotatable bonds
11
Heavy atoms
39

SMILES CC1=CC(=NC(=N1)SCC(=O)NC2=NC=C(S2)CC3=CC(=CC=C3)OCC4=CN(N=N4)CC5=CC=CC=C5)C

Computed descriptors from PubChem (CID 112499922), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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