| Identification | Back Directory | [Name]
Piperonal Related Compound 1 | [CAS]
88755-39-9 | [Synonyms]
TadalafilImpurity88
Piperonal Impurity 1
Piperonal Related Compound 1
RUNX1/ETO tetramerization-IN-1
1,3-Benzodioxole-5-butanoic acid, α-1,3-benzodioxol-5-yl-γ-oxo- | [Molecular Formula]
C18H14O7 | [MOL File]
88755-39-9.mol | [Molecular Weight]
342.3 |
| Chemical Properties | Back Directory | [Boiling point ]
598.6±50.0 °C(Predicted) | [density ]
1.472±0.06 g/cm3(Predicted) | [form ]
Solid | [pka]
4.04±0.23(Predicted) | [color ]
White to off-white |
| Hazard Information | Back Directory | [Uses]
RUNX1/ETO tetramerization-IN-1 is a small-molecule inhibitor of RUNX1/ETO tetramerization, exhibits anti-leukemic effect. RUNX1/ETO tetramerization-IN-1 specifically targets to NHR2 of RUNX1/ETO (EC50=0.25 μM), restores gene expression down-regulated by RUNX1/ETO. RUNX1/ETO tetramerization-IN-1 inhibits the proliferation of RUNX1/ETO-depending SKNO-1 cells, and reduces the RUNX1/ETO-related tumor growth in a mouse model[1][2][3]. | [in vivo]
RUNX1/ETO tetramerization-IN-1 (compound 7.44) (200-250 μg/kg; i.p.; 5 times per week; 130 d) delays tumor growth of RUNX1/ETO cells in mice[2].
| Animal Model: | NSG immunodeficient mice (NOD.Cg-Prkdcscid Il2rgtm1WjI/SzJ) injected with Kasumi-1 cells[2] | | Dosage: | 200-250 μg/Kg | | Administration: | Intraperitoneal injection; 5 times per week, for 130 days | | Result: | Reduced the dissemination of leukemic cells, remained 75% mice alive at day 130 post-treatment. |
| [References]
[1] Metz A, et al. From determinants of RUNX1/ETO tetramerization to small-molecule protein-protein interaction inhibitors targeting acute myeloid leukemia. J Chem Inf Model. 2013 Sep 23;53(9):2197-202. DOI:10.1021/ci400332e
[2] Schanda J, et al. Suppression of RUNX1/ETO oncogenic activity by a small molecule inhibitor of tetramerization. Haematologica. 2017 May;102(5):e170-e174. DOI:10.3324/haematol.2016.161570
[3] Gopalswamy M, et al. Biophysical and pharmacokinetic characterization of a small-molecule inhibitor of RUNX1/ETO tetramerization with anti-leukemic effects. Sci Rep. 2022 Aug 19;12(1):14158. DOI:10.1038/s41598-022-17913-6
[4] Kaoud TS, et al. From in Silico Discovery to intra-Cellular Activity: Targeting JNK-Protein Interactions with Small Molecules. ACS Med Chem Lett. 2012 Aug 6;3(9):721-725. DOI:10.1021/ml300129b |
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