| Size | Price | Stock | Qty |
|---|---|---|---|
| 5mg |
|
||
| 10mg |
|
||
| Other Sizes |
| Targets |
SR-0813 targets the YEATS domain of ENL (eleven-nineteen leukemia) and AF9 (ALL1-fused gene from chromosome 9). SR-0813 has IC50 values of 25 nM for the ENL YEATS domain and 311 nM for the AF9 YEATS domain. It has EC50 values of 205 nM for ENL YEATS domain and 76 nM (CETSA) for AF9 YEATS domain. The compound has >100-fold lower affinity for MAP3K19 (Kd).
|
|---|---|
| ln Vitro |
SR-0813 (Compound 10; 0, 1, 10 μM; 4 hours) exhibits dose-dependent eviction of ENL from established ENL binding sites, such as the MYB promoter in MV4;11 cells and the HOXA10 gene body [1]. In MV4;11 cells, SR-0813 (0, 1, 10 μM; 0, 24, 48, and 72 hours) increases the abundance of ITGAM transcripts while down-regulating the transcript levels of HOXA9, MEIS1, and MYC [1]. Multilineage leukemia (MLL) fusion leukemia cell lines (MV4;11, MOLM-13, OCI/AML-2) and HB11;19 cells are inhibited in their growth by SR-0813 (0, 1, 10 μM; ~2 weeks) [1]. In MV4;11 cells, SR-0813 (1 μM, 4 hours) results in considerable selective suppression of ENL target genes but does not alter gene expression globally [1].
In vitro, SR-0813 potently inhibits the ENL YEATS domain with an IC50 of 25 nM and an EC50 of 205 nM. It inhibits the AF9 YEATS domain with an IC50 of 311 nM and an EC50 of 76 nM (CETSA). The compound is a selective inhibitor of ENL/AF9 YEATS domains and is used to study chromatin reader function in acute leukemia. |
| ln Vivo |
In vivo activity data for SR-0813 are not extensively detailed in the available sources. The compound is a research tool for studying ENL/AF9 function in transcriptional regulation and oncogenic gene expression, particularly in acute leukemia. Specific in vivo efficacy data in animal models have not been reported.
|
| Enzyme Assay |
The in vitro binding assay for SR-0813 involves measuring its inhibition of the YEATS domain binding to acetylated histone peptides. Fluorescence polarization or AlphaScreen assays are typically used, where a fluorescently labeled acetylated histone peptide competes with the compound for binding to the ENL or AF9 YEATS domain. The IC50 and EC50 values are determined from dose-response curves.
|
| Cell Assay |
Cell proliferation assay[1]
Cell Types: MLL fusion leukemia Cell Types: MV4;11 (MLL-AF4 AML), MOLM-13 (MLL-AF9 AML) and OCI/AML-2 (MLL-AF6 AML), with ENL Sensitive to genetic deletions. HB11;19 cells containing MLL-ENL fusion. Tested Concentrations: 0, 1, 10 μM Incubation Duration: approximately 2 weeks Experimental Results: Inhibition of cell growth. Cellular assays for SR-0813 are performed using leukemia cell lines. Cells are treated with SR-0813 at various concentrations. ENL/AF9 target gene expression is assessed by RT-qPCR or RNA-seq. Cell proliferation and viability are measured using standard assays. CETSA (Cellular Thermal Shift Assay) is used to assess target engagement in cells. |
| Animal Protocol |
In vivo animal studies for SR-0813 are not detailed in the available sources. The compound is a research tool for studying ENL/AF9 function in leukemia. Specific animal models, dosing regimens, and efficacy data have not been reported.
|
| ADME/Pharmacokinetics |
Pharmacokinetic data for SR-0813 are not available in the provided sources. The compound has a molecular weight of 496.62 g/mol and a molecular formula of C25H32N6O3S. It is soluble in DMSO. Specific PK parameters such as half-life, bioavailability, and clearance have not been reported.
|
| Toxicity/Toxicokinetics |
Toxicity data for SR-0813 are not reported in the available sources. As a research compound, it is not intended for therapeutic use. The compound has been evaluated in cell-based assays, but specific toxicological profiles have not been characterized.
|
| References | |
| Additional Infomation |
SR-0813 is a research compound for studying ENL/AF9 YEATS domain function in transcriptional regulation and acute leukemia. It is a potent and selective inhibitor with IC50 values of 25 nM for ENL and 311 nM for AF9. The compound is available from commercial suppliers for research use only.
|
| Molecular Formula |
C25H32N6O3S
|
|---|---|
| Molecular Weight |
496.624983787537
|
| Exact Mass |
496.225
|
| CAS # |
2597186-19-9
|
| PubChem CID |
155885713
|
| Appearance |
White to off-white solid powder
|
| LogP |
3.2
|
| Hydrogen Bond Donor Count |
3
|
| Hydrogen Bond Acceptor Count |
7
|
| Rotatable Bond Count |
9
|
| Heavy Atom Count |
35
|
| Complexity |
811
|
| Defined Atom Stereocenter Count |
0
|
| SMILES |
S(NC1C=CC=C(C=1)C1=CN2C(C=CC(=C2)C(NC2CCC2)=O)=N1)(NCCN1CCCCC1)(=O)=O
|
| InChi Key |
GPMTWAPXRJMXCC-UHFFFAOYSA-N
|
| InChi Code |
InChI=1S/C25H32N6O3S/c32-25(27-21-7-5-8-21)20-10-11-24-28-23(18-31(24)17-20)19-6-4-9-22(16-19)29-35(33,34)26-12-15-30-13-2-1-3-14-30/h4,6,9-11,16-18,21,26,29H,1-3,5,7-8,12-15H2,(H,27,32)
|
| Chemical Name |
N-cyclobutyl-2-[3-(2-piperidin-1-ylethylsulfamoylamino)phenyl]imidazo[1,2-a]pyridine-6-carboxamide
|
| HS Tariff Code |
2934.99.9001
|
| 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)
|
| Solubility (In Vitro) |
DMSO : ~100 mg/mL (~201.36 mM)
|
|---|---|
| Solubility (In Vivo) |
Solubility in Formulation 1: ≥ 2.5 mg/mL (5.03 mM) (saturation unknown) in 10% DMSO + 40% PEG300 + 5% Tween-80 + 45% Saline (add these co-solvents sequentially from left to right, and one by one), Clear solution.
For example, if 1 mL of working solution is to be prepared, you can add 100 μL of DMSO stock solution (25.0 mg/mL) to 400 μL of PEG300 and mix well; then add 50 μL of Tween-80 and mix well; finally add 450 μL of physiological saline and adjust the volume to 1 mL. Preparation of saline: Dissolve 0.9 g of sodium chloride in 100 mL ddH₂ O to obtain a clear solution. (Please use freshly prepared in vivo formulations for optimal results.) |
| Preparing Stock Solutions | 1 mg | 5 mg | 10 mg | |
| 1 mM | 2.0136 mL | 10.0679 mL | 20.1357 mL | |
| 5 mM | 0.4027 mL | 2.0136 mL | 4.0271 mL | |
| 10 mM | 0.2014 mL | 1.0068 mL | 2.0136 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.
Products are for research use only; We do not sell to patients
Copyright 2020 InvivoChem LLC | All Rights Reserved
