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14513-15-6 | 4(1H)-Pyrimidinone, 2,3-dihydro-5-[(2-hydroxy-1-naphthalenyl)methyl]-6-phenyl-2-thioxo-
CAS No: 14513-15-6 Catalog No: AG001KLV MDL No:MFCD09057543
Product Description
Catalog Number:
AG001KLV
Chemical Name:
4(1H)-Pyrimidinone, 2,3-dihydro-5-[(2-hydroxy-1-naphthalenyl)methyl]-6-phenyl-2-thioxo-
CAS Number:
14513-15-6
Molecular Formula:
C21H16N2O2S
Molecular Weight:
360.4289
MDL Number:
MFCD09057543
IUPAC Name:
5-[(2-hydroxynaphthalen-1-yl)methyl]-6-phenyl-2-sulfanylidene-1H-pyrimidin-4-one
InChI:
InChI=1S/C21H16N2O2S/c24-18-11-10-13-6-4-5-9-15(13)16(18)12-17-19(14-7-2-1-3-8-14)22-21(26)23-20(17)25/h1-11,24H,12H2,(H2,22,23,25,26)
InChI Key:
RVNSQVIUFZVNAU-UHFFFAOYSA-N
SMILES:
S=c1[nH]c(=O)c(c([nH]1)c1ccccc1)Cc1c(O)ccc2c1cccc2
NSC Number:
112546
Properties
Complexity:
597
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
360.093g/mol
Formal Charge:
0
Heavy Atom Count:
26
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
360.431g/mol
Monoisotopic Mass:
360.093g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
93.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.1
Literature
| Title | Journal |
|---|---|
| Inhibition of sirtuins 1 and 2 impairs cell survival and migration and modulates the expression of P-glycoprotein and MRP3 in hepatocellular carcinoma cell lines. | Toxicology letters 20180601 |
| Discovery of thieno[3,2-d]pyrimidine-6-carboxamides as potent inhibitors of SIRT1, SIRT2, and SIRT3. | Journal of medicinal chemistry 20130509 |
| Efficacy of class I and II vs class III histone deacetylase inhibitors in neuroblastoma. | Journal of pediatric surgery 20120601 |
| Inhibition of SIRT1 impairs the accumulation and transcriptional activity of HIF-1α protein under hypoxic conditions. | PloS one 20120101 |
| Simplification of the tetracyclic SIRT1-selective inhibitor MC2141: coumarin- and pyrimidine-based SIRT1/2 inhibitors with different selectivity profile. | Bioorganic & medicinal chemistry 20110615 |
| SIRT1 promotes N-Myc oncogenesis through a positive feedback loop involving the effects of MKP3 and ERK on N-Myc protein stability. | PLoS genetics 20110601 |
| Mechanistic studies on the effects of nicotinamide on megakaryocytic polyploidization and the roles of NAD+ levels and SIRT inhibition. | Experimental hematology 20091101 |
| Identification and characterization of novel sirtuin inhibitor scaffolds. | Bioorganic & medicinal chemistry 20091001 |
| Sustained ER Ca2+ depletion suppresses protein synthesis and induces activation-enhanced cell death in mast cells. | The Journal of biological chemistry 20020419 |
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