| Identification | Back Directory | [Name]
AEM1 | [CAS]
1030123-90-0 | [Synonyms]
AEM1 >=98% (HPLC)
AEM1
(NRF2 inhibitor AEM1)
N-(1,3-Benzodioxol-5-ylmethyl)-5-(4-fluorophenyl)thieno[2,3-d]pyrimidin-4-amine
Thieno[2,3-d]pyrimidin-4-amine, N-(1,3-benzodioxol-5-ylmethyl)-5-(4-fluorophenyl)-
N-(benzo[d][1,3]dioxol-5-ylmethyl)-5-(4-fluorophenyl)thieno[2,3-d]pyrimidin-4-amine | [Molecular Formula]
C20H14FN3O2S | [MDL Number]
MFCD15017488 | [MOL File]
1030123-90-0.mol | [Molecular Weight]
379.41 |
| Chemical Properties | Back Directory | [Boiling point ]
582.1±50.0 °C(Predicted) | [density ]
1.457±0.06 g/cm3(Predicted) | [storage temp. ]
Store at -20°C | [solubility ]
DMF: 30 mg/mL; DMF:PBS (pH 7.2) (1:4): 0.2 mg/mL; DMSO: 20 mg/mL; Ethanol: 0.25 mg/mL | [form ]
A crystalline solid | [pka]
5.04±0.40(Predicted) | [color ]
White to off-white | [InChI]
1S/C20H14FN3O2S/c21-14-4-2-13(3-5-14)15-9-27-20-18(15)19(23-10-24-20)22-8-12-1-6-16-17(7-12)26-11-25-16/h1-7,9-10H,8,11H2,(H,22,23,24) | [InChIKey]
QGYLTGSHWIGJJD-UHFFFAOYSA-N | [SMILES]
Fc1ccc(cc1)c2c3c([s]c2)[nH]cn[c]3=NCc4cc5c(cc4)OCO5 |
| Hazard Information | Back Directory | [Uses]
N-(1,3-Benzodioxol-5-ylmethyl)-5-(4-fluorophenyl)thieno[2,3-d]pyrimidin-4-amine Inhibits deregulated NRF2 transcriptional activity in cancer. | [Biological Activity]
AEM1 (ARE expression modulator 1) is also a selective inhibitor of sirtuin 2which is a protein deacetylase mediated by NAD+. Sirtuin 2 supports tumor cell proliferationthus its inhibition stimulates cell death in tumors.''AEM1 is a potent inhibitor of deregulated Nrf2 transcriptional activity. AEM1 broadly decreases the expression of NRF2 controlled genes and sensitizes A549 cells to various chemotherapeutic agents. | [storage]
Store at -20°C |
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