SIRT6 activator 12q

SIRT6 activator 12q
Clinical data
Drug class	Sirtuin-6 (SIRT6) activator
Identifiers
	IUPAC name N-benzhydryl-2-(1-benzofuran-2-yl)quinoline-4-carboxamide;
CAS Number	2601734-99-8;
PubChem CID	156013743;
ChemSpider	115037051;
ChEMBL	ChEMBL4636189;
Chemical and physical data
Formula	C31H22N2O2
Molar mass	454.529 g·mol−1
3D model (JSmol)	Interactive image;
	SMILES C1=CC=C(C=C1)C(C2=CC=CC=C2)NC(=O)C3=CC(=NC4=CC=CC=C43)C5=CC6=CC=CC=C6O5;
	InChI InChI=1S/C31H22N2O2/c34-31(33-30(21-11-3-1-4-12-21)22-13-5-2-6-14-22)25-20-27(32-26-17-9-8-16-24(25)26)29-19-23-15-7-10-18-28(23)35-29/h1-20,30H,(H,33,34); Key:JNULQPRWYHVXHT-UHFFFAOYSA-N;

SIRT6 activator 12q is a drug which acts as a sirtuin-6 (SIRT6) activator. It has been researched as a potential therapeutic agent for the treatment of pancreatic ductal adenocarcinoma, as well as being used for basic research into the structure and function of the SIRT6 enzyme complex.^[1]^[2]^[3]

References

^ Chen X, Sun W, Huang S, Zhang H, Lin G, Li H, et al. (September 2020). "Discovery of Potent Small-Molecule SIRT6 Activators: Structure-Activity Relationship and Anti-Pancreatic Ductal Adenocarcinoma Activity". Journal of Medicinal Chemistry. 63 (18): 10474–10495. doi:10.1021/acs.jmedchem.0c01183. PMID 32787077.
^ Abbotto E, Scarano N, Piacente F, Millo E, Cichero E, Bruzzone S (September 2022). "Virtual Screening in the Identification of Sirtuins' Activity Modulators". Molecules. 27 (17): 5641. doi:10.3390/molecules27175641. PMC 9457788. PMID 36080416.
^ Zhao Z, Du J, Du Y, Gao Y, Yu M, Zhang Y, et al. (September 2023). "Deciphering the Allosteric Activation Mechanism of SIRT6 Using Molecular Dynamics Simulations". Journal of Chemical Information and Modeling. 63 (18): 5896–5902. doi:10.1021/acs.jcim.3c00227. PMC 10530556. PMID 37653718.

[1] Chen X, Sun W, Huang S, Zhang H, Lin G, Li H, et al. (September 2020). "Discovery of Potent Small-Molecule SIRT6 Activators: Structure-Activity Relationship and Anti-Pancreatic Ductal Adenocarcinoma Activity". Journal of Medicinal Chemistry. 63 (18): 10474–10495. doi:10.1021/acs.jmedchem.0c01183. PMID 32787077.

[2] Abbotto E, Scarano N, Piacente F, Millo E, Cichero E, Bruzzone S (September 2022). "Virtual Screening in the Identification of Sirtuins' Activity Modulators". Molecules. 27 (17): 5641. doi:10.3390/molecules27175641. PMC 9457788. PMID 36080416.

[3] Zhao Z, Du J, Du Y, Gao Y, Yu M, Zhang Y, et al. (September 2023). "Deciphering the Allosteric Activation Mechanism of SIRT6 Using Molecular Dynamics Simulations". Journal of Chemical Information and Modeling. 63 (18): 5896–5902. doi:10.1021/acs.jcim.3c00227. PMC 10530556. PMID 37653718.

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