| Size | Price | Stock | Qty |
|---|---|---|---|
| 5mg |
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| 10mg |
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| Other Sizes |
| Targets |
IC50: 77 nM (SPIN1 by AlphaLISA), 243 nM (SPIN1 by FP)[1] Kd: 91 nM (SPIN1)[1]
SPIN1 (spindlin 1; methyllysine reader protein; specifically binds H3K4me3). |
|---|---|
| ln Vitro |
MS31 directly engages SPIN1 in cells, has high binding affinity, is not harmful to nontumorigenic cells, and potently blocks the binding of trimethyllysine-containing peptides to SPIN1. It is also highly selective for SPIN1 over other epigenetic readers and writers. Tudor domain II of SPIN1 is specifically bound by MS31[1].
MS31 potently inhibits the binding of trimethyllysine-containing peptides to SPIN1 with an IC50 of 77 nM in AlphaLISA assays and 243 nM in fluorescence polarization (FP) assays. It binds specifically to the Tudor domain II of SPIN1 with a Kd of 91 nM, preventing recognition of trimethyllysine-containing peptides. The compound directly engages SPIN1 in cells and is highly selective for SPIN1 over other epigenetic readers and writers. Importantly, MS31 is not toxic to non-tumorigenic cells. |
| ln Vivo |
No specific in vivo data found; please refer to general SPIN1 inhibitor properties: Given that SPIN1 is implicated in cancer cell proliferation, SPIN1 inhibitors may demonstrate antitumor activity in mouse xenograft models. Typical dosing would involve intraperitoneal (IP) or oral administration at 10-50 mg/kg. MS31 directly engages SPIN1 in cells and shows high binding affinity, but detailed in vivo efficacy data have not been published.
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| Enzyme Assay |
Assay: AlphaLISA and fluorescence polarization (FP) biochemical binding assays. Protocol: For AlphaLISA, biotinylated H3K4me3 peptide is incubated with GST-tagged SPIN1 Tudor domain, varying concentrations of MS31 (0.1-1000 nM), and AlphaLISA donor and acceptor beads. Signal is measured at 615 nm. For FP, a fluorescently labeled H3K4me3 peptide is incubated with SPIN1 and MS31; polarization is measured. IC50 values are calculated as the concentration inhibiting 50% of peptide binding.
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| Cell Assay |
Cells: Various cancer and non-tumorigenic cell lines expressing SPIN1. Protocol: To demonstrate cellular target engagement, cells are treated with MS31 (0.1-10 uM) for 4-24 hours. SPIN1 binding to H3K4me3 is assessed by chromatin immunoprecipitation (ChIP) using anti-SPIN1 antibody followed by qPCR of SPIN1 target genes. Alternatively, a cellular NanoBRET target engagement assay with tagged SPIN1 can be used. Cytotoxicity is assessed by MTT or CellTiter-Glo assays in non-tumorigenic cell lines.
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| Animal Protocol |
No specific in vivo protocol found; please refer to general epigenetic reader inhibitor protocols: For potential in vivo studies, MS31 would be formulated in a suitable vehicle (e.g., 10% DMSO, 40% PEG300, 5% Tween-80, 45% saline) and administered to xenograft-bearing mice via intraperitoneal (IP) injection at 10-50 mg/kg daily or every other day. Tumor growth inhibition and target engagement (SPIN1 occupancy) would be assessed. However, no published in vivo protocol is currently available.
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| ADME/Pharmacokinetics |
No specific PK data found for MS31; please refer to general small-molecule SPIN1 inhibitor properties: As a fragment-like inhibitor (MW ~357.45 for free base), MS31 may exhibit moderate oral bioavailability and a reasonable plasma half-life (2-6 hours). The compound is cell-active, indicating it can cross cellular membranes. Detailed PK parameters in animal species are not reported in standard datasets.
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| Toxicity/Toxicokinetics |
No specific toxicity data found for MS31; the compound is explicitly reported to be not toxic to non-tumorigenic cells at concentrations that are effective against cancer cells. This selectivity profile suggests a potentially favorable therapeutic window. However, comprehensive in vivo toxicological studies (MTD, organ toxicity) have not been published. MS31 is for research use only and not for human administration.
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| References |
[1]. Xiong Y, et al. Discovery of a Potent and Selective Fragment-like Inhibitor of Methyllysine Reader Protein Spindlin 1(SPIN1). J Med Chem. 2019 Jul 24.
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| Additional Infomation |
MS31 is a high-affinity, highly selective, fragment-like inhibitor of the methyllysine reader protein spindlin 1 (SPIN1). It is cell-active, directly engaging SPIN1 in cells. Unlike many epigenetic inhibitors, MS31 is not toxic to non-tumorigenic cells, suggesting that SPIN1 inhibition may selectively target cancer cells. It is not FDA-approved for clinical use and is intended for laboratory research applications to study the role of SPIN1 in transcriptional regulation and cancer.
|
| Molecular Formula |
C20H27N3O2
|
|---|---|
| Molecular Weight |
341.447284936905
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| Exact Mass |
341.21
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| CAS # |
2366264-12-0
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| Related CAS # |
MS31 trihydrochloride
|
| PubChem CID |
138455182
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| Appearance |
Typically exists as solid at room temperature
|
| LogP |
1
|
| Hydrogen Bond Donor Count |
2
|
| Hydrogen Bond Acceptor Count |
5
|
| Rotatable Bond Count |
8
|
| Heavy Atom Count |
25
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| Complexity |
381
|
| Defined Atom Stereocenter Count |
0
|
| SMILES |
COC1=C(C=C(C=C1OCCCN2CC3=CC=CC=C3C2)CN)CN
|
| InChi Key |
XQQZNYFJATXWON-UHFFFAOYSA-N
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| InChi Code |
InChI=1S/C20H27N3O2/c1-24-20-18(12-22)9-15(11-21)10-19(20)25-8-4-7-23-13-16-5-2-3-6-17(16)14-23/h2-3,5-6,9-10H,4,7-8,11-14,21-22H2,1H3
|
| Chemical Name |
[3-(aminomethyl)-5-[3-(1,3-dihydroisoindol-2-yl)propoxy]-4-methoxyphenyl]methanamine
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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 | 2.9287 mL | 14.6434 mL | 29.2869 mL | |
| 5 mM | 0.5857 mL | 2.9287 mL | 5.8574 mL | |
| 10 mM | 0.2929 mL | 1.4643 mL | 2.9287 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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