| Size | Price | Stock | Qty |
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| 10mg |
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| 50mg |
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| 100mg |
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| Other Sizes |
| Targets |
(S)-Subasumstat is an inactive isomer and does not have a specific biological target. It is used as a control compound in experiments where Subasumstat (TAK-981), a first-in-class selective inhibitor of the SUMOylation enzymatic reaction with potential immune-activating and antitumor activity, is the active compound.
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| ln Vitro |
In vitro, (S)-Subasumstat is used as a control compound in SUMOylation inhibition studies. The active isomer, Subasumstat, is a selective inhibitor of the SUMOylation enzymatic reaction. (S)-Subasumstat itself does not exhibit significant inhibitory activity and is used to validate the specificity of Subasumstat's effects.
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| ln Vivo |
In vivo, (S)-Subasumstat is not expected to exhibit pharmacological activity. It is used as a control compound in animal studies to distinguish the effects of the active compound from non-specific effects. Its lack of activity makes it a valuable tool for validating experimental results.
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| Enzyme Assay |
Cell-free assays for (S)-Subasumstat involve SUMOylation inhibition studies. The compound is used as a negative control alongside the active isomer Subasumstat. SUMOylation assays are performed using purified enzymes and substrates, and the activity of the active compound is compared to the control.
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| Cell Assay |
Cellular assays for (S)-Subasumstat use cells treated with the compound as a control alongside Subasumstat. SUMOylation levels are measured by Western blot or immunofluorescence. Cell viability, immune activation, and antitumor activity are assessed and compared between active and control groups.
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| Animal Protocol |
In vivo animal studies for (S)-Subasumstat use the compound as a control group in efficacy studies of Subasumstat. Animals are administered (S)-Subasumstat at doses matching the active compound to control for vehicle and non-specific effects. Tumor growth, immune activation, and toxicity are compared.
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| ADME/Pharmacokinetics |
Pharmacokinetic properties of (S)-Subasumstat are expected to be similar to Subasumstat. Molecular weight: 578.10. Storage: powder at -20°C for up to 3 years; in solvent at -80°C for 6 months or -20°C for 1 month. Purity: 99.63%.
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| Toxicity/Toxicokinetics |
Toxicity of (S)-Subasumstat is not extensively characterized. As an inactive isomer used as a control compound, it is expected to have low toxicity. It is for research use only and not intended for human use.
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| References | |
| Additional Infomation |
(S)-Subasumstat is a research compound used as a control in SUMOylation inhibition studies. It is the inactive isomer of Subasumstat (TAK-981), a first-in-class selective SUMOylation inhibitor. The compound is available from chemical suppliers. No clinical applications have been reported.
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| Molecular Formula |
C25H28CLN5O5S2
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|---|---|
| Molecular Weight |
578.103322029114
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| Exact Mass |
577.122
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| CAS # |
1858282-76-4
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| Related CAS # |
Subasumstat;1858276-04-6
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| PubChem CID |
118629001
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| Appearance |
White to light yellow solid powder
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| LogP |
3.5
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| Hydrogen Bond Donor Count |
4
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| Hydrogen Bond Acceptor Count |
11
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| Rotatable Bond Count |
8
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| Heavy Atom Count |
38
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| Complexity |
942
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| Defined Atom Stereocenter Count |
4
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| SMILES |
CC1=C(C=C(S1)C(=O)C2=CN=CN=C2N[C@@H]3C[C@@H]([C@H](C3)O)COS(=O)(=O)N)[C@@H]4C5=C(CCN4)C=CC(=C5)Cl
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| InChi Key |
LXRZVMYMQHNYJB-FAZIRXHDSA-N
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| InChi Code |
InChI=1S/C25H28ClN5O5S2/c1-13-18(23-19-7-16(26)3-2-14(19)4-5-29-23)9-22(37-13)24(33)20-10-28-12-30-25(20)31-17-6-15(21(32)8-17)11-36-38(27,34)35/h2-3,7,9-10,12,15,17,21,23,29,32H,4-6,8,11H2,1H3,(H2,27,34,35)(H,28,30,31)/t15-,17-,21+,23-/m1/s1
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| Chemical Name |
[(1R,2S,4R)-4-[[5-[4-[(1S)-7-chloro-1,2,3,4-tetrahydroisoquinolin-1-yl]-5-methylthiophene-2-carbonyl]pyrimidin-4-yl]amino]-2-hydroxycyclopentyl]methyl sulfamate
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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 Vitro) |
DMSO: 100 mg/mL (172.98 mM)
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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.) |
| Preparing Stock Solutions | 1 mg | 5 mg | 10 mg | |
| 1 mM | 1.7298 mL | 8.6490 mL | 17.2980 mL | |
| 5 mM | 0.3460 mL | 1.7298 mL | 3.4596 mL | |
| 10 mM | 0.1730 mL | 0.8649 mL | 1.7298 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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