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Chemical structure of SIRT5 inhibitor 3

GC69898

SIRT5 inhibitor 3

Also known as 4-[5-[(E)-2-cyano-3-(4-cyano-3-fluoroanilino)-3-oxoprop-1-enyl]furan-2-yl]benzoic acid

SIRT5 inhibitor 3 (compound 46) is an effective and competitive inhibitor of SIRT5, with an IC50 of 5·9 μM· It can inhibit the deacetylation activity of SIRT5· SIRT5 inhibitor 3 can be used for research on cancer and neurodegenerative diseases

ChemicalCAS2128651-12-5MW401.35FormulaC22H12FN3O4
CAS number
2128651-12-5
Molecular weight
401.35
Formula
C22H12FN3O4
Solubility
DMSO ： 25 mg/mL (62·29 mM; ultrasonic and warming and heat to 60°C)
InChIKey
ZXUUSUJEPKBBBB-CXUHLZMHSA-N
Catalogue number
GC69898
Brand
GLPBIO
Computed properties PubChem CID 137639138 · XLogP 3.8 · TPSA 127 Ų · H-bond donors 2
XLogP
3.8
TPSA
127 Ų
H-bond donors
2
H-bond acceptors
7
Rotatable bonds
5
Heavy atoms
30

SMILES C1=CC(=CC=C1C2=CC=C(O2)/C=C(\C#N)/C(=O)NC3=CC(=C(C=C3)C#N)F)C(=O)O

Computed descriptors from PubChem (CID 137639138), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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Documents
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