| Size | Price | Stock | Qty |
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| 5mg |
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| Other Sizes |
| Targets |
SID 7969543 targets nuclear receptor subfamily 5 group A member 1 (NR5A1), also known as steroidogenic factor 1 (SF-1). SF-1 is a transcription factor belonging to the nuclear receptor superfamily that plays a critical role in steroidogenesis, reproduction, and adrenal development. By inhibiting SF-1, SID 7969543 disrupts SF-1-triggered gene expression. The compound is selective for NR5A1/SF-1 over retinoic acid receptor-related orphan receptor α (RORα) and the herpes simplex virus (HSV) transcriptional activator VP16, with IC50s greater than 33.333 µM for both. It also blocks the interaction between the transcriptional coactivator CBP and the transcription factor CREB, suppressing cAMP-dependent gene expression.
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| ln Vitro |
For RORα and VP-16, SID 7969543 displays IC50s of >33,333 nM, respectively[1]. The functional activity of SID 7969543 is evaluated in HEK 293T cells that have been co-transfected with a plasmid that encodes the entire length of SF-1 and another vector that permits the expression of the luciferase gene under the regulation of five tandem repetitions of the natural SF-1 response element (SFRE). With IC50 values of 30 ± 15 nM, SID 7969543 suppresses the production of luciferase induced by SF-1[1].
SID 7969543 demonstrates potent inhibitory activity against SF-1 with an IC50 of 760 nM. In functional cellular assays, it inhibits SF-1-triggered luciferase expression with an IC50 of 30 nM. The compound is selectively cytotoxic to PER-485, THP-1, and MOLM-13 leukemia cells, which contain mixed-lineage leukemia 1 (MLL1) rearrangement mutations, with IC50s of 1.4, 2.6, and 1 µM, respectively. For RORα and VP-16, SID 7969543 shows IC50 values greater than 33,333 nM, demonstrating its selectivity. The compound has a purity of ≥98% and is sparingly soluble in DMSO (1-10 mg/ml). |
| ln Vivo |
In vivo studies of SID 7969543 are limited as the compound is primarily used as a research tool for in vitro and cellular studies. As a selective SF-1 inhibitor, it may have potential for in vivo evaluation in models of hormone-dependent cancers and adrenal disorders. Its ability to suppress CREB-mediated gene expression suggests possible applications in models of neurological disorders. However, comprehensive in vivo pharmacological studies specifically targeting SID 7969543 are not well documented in the available literature. The compound is intended for research use only and is not for human therapeutic use.
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| Enzyme Assay |
In vitro enzyme/receptor binding assays for SID 7969543 typically involve testing its inhibitory activity against SF-1 (NR5A1). Binding affinity and inhibition are assessed using cell-free systems measuring the compound's ability to displace ligands or inhibit SF-1 activity. IC50 values are determined from dose-response curves, with a reported IC50 of 760 nM for SF-1 inhibition. Selectivity assays are performed against related nuclear receptors such as RORα and VP16 to confirm specificity. The compound's purity (≥98%) and identity are confirmed using analytical chemistry methods such as nuclear magnetic resonance spectroscopy, high-performance liquid chromatography, and mass spectrometry.
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| Cell Assay |
In vitro cell-based assays for SID 7969543 involve culturing HEK 293T cells transfected with plasmids encoding full-length SF-1 and a luciferase reporter gene under the control of SF-1 response elements. Cells are treated with varying concentrations of the compound, and luciferase activity is measured to assess inhibition of SF-1-triggered transcription, with an IC50 of 30 nM. For cytotoxicity studies, leukemia cell lines with MLL1 rearrangements (PER-485, THP-1, MOLM-13) are treated with the compound and cell viability is assessed, with IC50s of 1.4, 2.6, and 1 µM, respectively. All experiments are performed with appropriate controls to ensure statistical reliability.
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| Animal Protocol |
In vivo animal experiments for SID 7969543 are not well documented in the available literature. As a research compound, it may be evaluated in xenograft models of MLL1-rearranged leukemia or in models of SF-1-dependent cancers. Animals would be administered the compound and tumor growth monitored. Parameters assessed would include tumor volume, body weight, survival, and general health. For neurological studies, animal models of memory formation or CREB-mediated pathways could be used. Control groups receiving vehicle alone would be included for comparison. All procedures would comply with institutional animal care and use committee guidelines.
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| ADME/Pharmacokinetics |
The pharmacokinetic properties of SID 7969543 reflect its nature as a small-molecule inhibitor. It has a molecular weight of 452.46 and the molecular formula C24H24N2O7. The compound has a LogP of 2.814, indicating moderate lipophilicity, and a topological polar surface area (tPSA) of 105.09. It has one hydrogen bond donor, seven hydrogen bond acceptors, and eight rotatable bonds. The compound is a white to off-white solid powder and is sparingly soluble in DMSO (1-10 mg/ml). It is stored at -20°C and is stable under recommended conditions. Complete pharmacokinetic profiling would require further systematic studies.
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| Toxicity/Toxicokinetics |
The toxicity profile of SID 7969543 has been evaluated in the context of its use as a research chemical. In cell-based assays, the compound shows selective cytotoxicity to leukemia cells with MLL1 rearrangements (IC50s: 1.4, 2.6, and 1 µM). The compound has a purity of ≥98% and is formulated as a solid. Proper handling procedures including use of personal protective equipment are recommended when working with the compound. The compound is not approved for human therapeutic use and is intended for research purposes only. Long-term toxicity studies would be needed to fully establish its safety profile for pharmaceutical applications.
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| References |
[1]. Madoux F, et al. Potent, selective and cell penetrant inhibitors of SF-1 by functional ultra-high-throughput screening. Mol Pharmacol. 2008;73(6):1776-1784.
[2]. Roth J, et al. Synthesis of small molecule inhibitors of the orphan nuclear receptor steroidogenic factor-1 (NR5A1) based on isoquinolinone scaffolds. Bioorg Med Chem Lett. 2008;18(8):2628-2632. |
| Additional Infomation |
Ethyl 2-[[2-[2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-2-oxoethyl]-1-oxo-5-isoquinolinyl]oxy]propionate is a member of the isoquinoline class of compounds.
SID 7969543 (CAS# 868224-64-0) is also known as ethyl 2-[2-[2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-2-oxoethyl]-1-oxoisoquinolin-5-yl]oxypropanoate. It has the IUPAC name 2-[[2-[2-[(2,3-dihydro-1,4-benzodioxin-6-yl)amino]2-oxoethyl]-1,2-dihydro-1-oxo-5-isoquinolinyl]oxy]-propanoic acid, ethyl ester. The compound is a small-molecule inhibitor that selectively disrupts the interaction between CBP and CREB, suppressing cAMP-dependent gene expression. It is widely used in cancer and neurobiology research to study transcriptional regulation, signal transduction, and memory formation. References supporting its activity include studies by Madoux F, et al. (Mol Pharmacol. 2008) and Roth J, et al. (Bioorg Med Chem Lett. 2008). |
| Molecular Formula |
C24H24N2O7
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| Molecular Weight |
452.46
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| Exact Mass |
452.158
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| CAS # |
868224-64-0
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| PubChem CID |
4076092
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| Appearance |
White to off-white solid powder
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| LogP |
2.814
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| Hydrogen Bond Donor Count |
1
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| Hydrogen Bond Acceptor Count |
7
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| Rotatable Bond Count |
8
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| Heavy Atom Count |
33
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| Complexity |
757
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| Defined Atom Stereocenter Count |
0
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| SMILES |
O(C([H])(C(=O)OC([H])([H])C([H])([H])[H])C([H])([H])[H])C1=C([H])C([H])=C([H])C2C(N(C([H])=C([H])C=21)C([H])([H])C(N([H])C1C([H])=C([H])C2=C(C=1[H])OC([H])([H])C([H])([H])O2)=O)=O
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| InChi Key |
KWMBIIQCLUIHDI-UHFFFAOYSA-N
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| InChi Code |
InChI=1S/C24H24N2O7/c1-3-30-24(29)15(2)33-19-6-4-5-18-17(19)9-10-26(23(18)28)14-22(27)25-16-7-8-20-21(13-16)32-12-11-31-20/h4-10,13,15H,3,11-12,14H2,1-2H3,(H,25,27)
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| Chemical Name |
ethyl 2-[2-[2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-2-oxoethyl]-1-oxoisoquinolin-5-yl]oxypropanoate
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| HS Tariff Code |
2934.99.9001
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| Storage |
Powder -20°C 3 years 4°C 2 years In solvent -80°C 6 months -20°C 1 month |
| Shipping Condition |
Room temperature (This product is stable at ambient temperature for a few days during ordinary shipping and time spent in Customs)
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| Solubility (In Vivo) |
Note: Listed below are some common formulations that may be used to formulate products with low water solubility (e.g. < 1 mg/mL), you may test these formulations using a minute amount of products to avoid loss of samples.
Injection Formulations
Injection Formulation 1: DMSO : Tween 80： Saline = 10 : 5 : 85 (i.e. 100 μL DMSO stock solution → 50 μL Tween 80 → 850 μL Saline)(e.g. IP/IV/IM/SC) *Preparation of saline: Dissolve 0.9 g of sodium chloride in 100 mL ddH ₂ O to obtain a clear solution. Injection Formulation 2: DMSO : PEG300 ：Tween 80 : Saline = 10 : 40 : 5 : 45 (i.e. 100 μL DMSO → 400 μLPEG300 → 50 μL Tween 80 → 450 μL Saline) Injection Formulation 3: DMSO : Corn oil = 10 : 90 (i.e. 100 μL DMSO → 900 μL Corn oil) Example: Take the Injection Formulation 3 (DMSO : Corn oil = 10 : 90) as an example, if 1 mL of 2.5 mg/mL working solution is to be prepared, you can take 100 μL 25 mg/mL DMSO stock solution and add to 900 μL corn oil, mix well to obtain a clear or suspension solution (2.5 mg/mL, ready for use in animals). View More
Injection Formulation 4: DMSO : 20% SBE-β-CD in saline = 10 : 90 [i.e. 100 μL DMSO → 900 μL (20% SBE-β-CD in saline)] Oral Formulations
Oral Formulation 1: Suspend in 0.5% CMC Na (carboxymethylcellulose sodium) Oral Formulation 2: Suspend in 0.5% Carboxymethyl cellulose Example: Take the Oral Formulation 1 (Suspend in 0.5% CMC Na) as an example, if 100 mL of 2.5 mg/mL working solution is to be prepared, you can first prepare 0.5% CMC Na solution by measuring 0.5 g CMC Na and dissolve it in 100 mL ddH2O to obtain a clear solution; then add 250 mg of the product to 100 mL 0.5% CMC Na solution, to make the suspension solution (2.5 mg/mL, ready for use in animals). View More
Oral Formulation 3: Dissolved in PEG400 (Please use freshly prepared in vivo formulations for optimal results.) |
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| Preparing Stock Solutions | 1 mg | 5 mg | 10 mg | |
| 1 mM | 2.2101 mL | 11.0507 mL | 22.1014 mL | |
| 5 mM | 0.4420 mL | 2.2101 mL | 4.4203 mL | |
| 10 mM | 0.2210 mL | 1.1051 mL | 2.2101 mL |
*Note: Please select an appropriate solvent for the preparation of stock solution based on your experiment needs. For most products, DMSO can be used for preparing stock solutions (e.g. 5 mM, 10 mM, or 20 mM concentration); some products with high aqueous solubility may be dissolved in water directly. Solubility information is available at the above Solubility Data section. Once the stock solution is prepared, aliquot it to routine usage volumes and store at -20°C or -80°C. Avoid repeated freeze and thaw cycles.
Calculation results
Working concentration： mg/mL；
Method for preparing DMSO stock solution： mg drug pre-dissolved in μL DMSO (stock solution concentration mg/mL). Please contact us first if the concentration exceeds the DMSO solubility of the batch of drug.
Method for preparing in vivo formulation:：Take μL DMSO stock solution, next add μL PEG300, mix and clarify, next addμL Tween 80, mix and clarify, next add μL ddH2O，mix and clarify.
(1) Please be sure that the solution is clear before the addition of next solvent. Dissolution methods like vortex, ultrasound or warming and heat may be used to aid dissolving.
(2) Be sure to add the solvent(s) in order.
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