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| IUPAC Name: | 1-(4-chlorophenyl)-N-[(5-nitrothiophen-2-yl)methyl]methanamine |
| Description: | N-(4-Chlorobenzyl)-1-(5-nitrothiophen-2-yl)methanamine is an analogue of GSK 4112 (G797700) which is a synthetic ligand for REV-ERBα, a member of the nuclear receptor superfamily that functions as a receptor for the porphoryin heme. GSK 4112 mimics the action of heme acting as agonist and suppresses the expression of REV-ERBα target genes involved in gluconeogenesis. |
| Molecular Weight: | 282.75 |
| Molecular Formula: | C12H11ClN2O2S |
| Canonical SMILES: | C1=CC(=CC=C1CNCC2=CC=C(S2)[N+](=O)[O-])Cl |
| InChI: | InChI=1S/C12H11ClN2O2S/c13-10-3-1-9(2-4-10)7-14-8-11-5-6-12(18-11)15(16)17/h1-6,14H,7-8H2 |
| InChI Key: | JYRPCZZOPOWZAY-UHFFFAOYSA-N |
| Melting Point: | >41°C (dec.) |
| Solubility: | Chloroform (Slightly), DMSO (Slightly) |
| Appearance: | Light Brown to Brown Solid |
| Storage: | -20°C Freezer, Under inert atmosphere |
| References: | Kojetin, D., et al. ACS Chem. Biol., 6, 131 (2011); Grant, D., et al. ACS Chem. Biol., 5, 925 (2010). |
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