| Size | Price | Stock | Qty |
|---|---|---|---|
| 5mg |
|
||
| 10mg |
|
||
| 100mg |
|
||
| 250mg | |||
| Other Sizes |
| Targets |
SCP1-IN-1 targets Small C-terminal domain phosphatase 1 (SCP1), an enzyme that dephosphorylates the C-terminal domain of RNA polymerase II, thereby regulating transcriptional elongation and gene expression. It acts as a covalent/irreversible inhibitor of SCP1. The human target IC50 is 10 μM. By inhibiting SCP1, the compound promotes the degradation of the REST transcription factor and reduces its transcriptional activity.
|
|---|---|
| ln Vitro |
In vitro, SCP1-IN-1 demonstrates potent and selective inhibition of SCP1 with an IC50 of 10 μM against the human target. It promotes REST degradation and reduces transcriptional activity in cellular models. In certain glioblastoma cells where elevated REST protein levels drive tumor growth, SCP1-IN-1 shows potential for research applications. The compound is a covalent inhibitor, indicating irreversible binding to its target.
|
| ln Vivo |
In vivo, SCP1-IN-1 has potential for researching glioblastoma driven by REST transcription activity. However, specific in vivo efficacy data in animal models are not detailed in the available literature. As a research compound, it is being investigated for its ability to reduce tumor growth in REST-dependent cancer models.
|
| Enzyme Assay |
The in vitro enzyme inhibition assay for SCP1-IN-1 likely involves measuring the phosphatase activity of SCP1 in the presence of the compound. SCP1 dephosphorylates the C-terminal domain of RNA polymerase II; inhibition is assessed by quantifying the reduction in dephosphorylation activity. The IC50 value of 10 μM against the human target has been reported. As a covalent inhibitor, the assay may include a pre-incubation step to allow for irreversible binding.
|
| Cell Assay |
In vitro cell-based assays for SCP1-IN-1 involve treating glioblastoma cells with the compound and measuring REST protein levels and transcriptional activity. REST degradation is assessed via Western blot or immunofluorescence, while transcriptional activity is measured using reporter gene assays or qPCR of REST target genes. The compound’s ability to reduce cell viability in REST-dependent cancer cell lines is also evaluated.
|
| Animal Protocol |
In vivo animal studies for SCP1-IN-1 would likely involve xenograft mouse models of glioblastoma. Tumor-bearing mice would be treated with SCP1-IN-1 via oral or intraperitoneal administration, and tumor growth inhibition would be monitored. REST protein levels and transcriptional activity in tumor tissues would be assessed post-treatment to confirm target engagement.
|
| ADME/Pharmacokinetics |
Pharmacokinetic properties of SCP1-IN-1 are not extensively detailed in the available literature. The compound is soluble in DMSO (90 mg/mL, 172.91 mM). It has a predicted relative density of 1.496 g/cm³. For storage, the pure form should be kept at -20°C for up to 3 years, and in solvent at -80°C for 1 year.
|
| Toxicity/Toxicokinetics |
No specific toxicity data for SCP1-IN-1 are available in the provided literature. As a covalent inhibitor, potential off-target effects and general cytotoxicity would need to be evaluated in preclinical studies. The compound is for research use only and not for human therapeutic applications. Standard laboratory safety precautions should be followed when handling.
|
| Additional Infomation |
SCP1-IN-1 is a research tool for studying the role of SCP1 and REST in cancer, particularly glioblastoma. It is a covalent inhibitor that promotes REST degradation and reduces transcriptional activity. The compound is available for research purposes only. Its CAS number is 2764615-55-4. Further studies are needed to fully characterize its in vivo efficacy and pharmacokinetic profile.
|
| Molecular Formula |
C20H19F3N2O7S2
|
|---|---|
| Molecular Weight |
520.50
|
| Exact Mass |
520.058
|
| CAS # |
2764615-55-4
|
| PubChem CID |
163196270
|
| Appearance |
White to off-white solid powder
|
| LogP |
3
|
| Hydrogen Bond Donor Count |
2
|
| Hydrogen Bond Acceptor Count |
11
|
| Rotatable Bond Count |
10
|
| Heavy Atom Count |
34
|
| Complexity |
948
|
| Defined Atom Stereocenter Count |
0
|
| SMILES |
C1=CC=C2C(=C1)C=C(S2(=O)=O)C(=O)NCCOCCNS(=O)(=O)C3=CC=C(C=C3)OC(F)(F)F
|
| InChi Key |
LOPHIWMZIIGDGK-UHFFFAOYSA-N
|
| InChi Code |
InChI=1S/C20H19F3N2O7S2/c21-20(22,23)32-15-5-7-16(8-6-15)34(29,30)25-10-12-31-11-9-24-19(26)18-13-14-3-1-2-4-17(14)33(18,27)28/h1-8,13,25H,9-12H2,(H,24,26)
|
| Chemical Name |
1,1-dioxo-N-[2-[2-[[4-(trifluoromethoxy)phenyl]sulfonylamino]ethoxy]ethyl]-1-benzothiophene-2-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 (~192.12 mM)
|
|---|---|
| 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 | 1.9212 mL | 9.6061 mL | 19.2123 mL | |
| 5 mM | 0.3842 mL | 1.9212 mL | 3.8425 mL | |
| 10 mM | 0.1921 mL | 0.9606 mL | 1.9212 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
