Deoxytopsentin
Based on 1 Customer Validation
Deoxytopsentin (compound 5) is a marine bisindole alkaloid and also a MRSA pyruvate kinase inhibitor. Deoxytopsentin exists in sponges. Deoxytopsentin exhibits antibacterial activity against methicillin-resistant Staphylococcus aureus strains in vitro.
For research use only. We do not sell to patients.
- Purity: 99.42%
- CAS No.: 112515-42-1
- Formula: C20H14N4O
- Molecular Weight:326.35
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Storage:Powder -20°C, 3 years , 4°C, 2 years ; In solvent -80°C, 6 months , -20°C, 1 month
To place orders, for customer services and technical support, please contact: MedChemExpress USA
Tel: 609-228-6898 E-mail: [email protected] [email protected]
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Biological Activity
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Chemical Information
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Solvent & Solubility
- Purity & Documentation
- References
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Help & FAQs
Biological Activity
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Cell Line
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Type | Value | Description | References |
|---|---|---|---|---|
| A549 | ED50 |
>30 μg/mL
Compound: 9
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Cytotoxicity against human A549 cells after 48 hrs by SRB assay
Cytotoxicity against human A549 cells after 48 hrs by SRB assay
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[PMID: 15921415] |
| AGS | IC50 |
1.1 μg/mL
Compound: 13
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Antiproliferative activity against human AGS cells assessed as inhibition of cell growth incubated for 24 hrs by MTT assay
Antiproliferative activity against human AGS cells assessed as inhibition of cell growth incubated for 24 hrs by MTT assay
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[PMID: 36170798] |
| BC | IC50 |
10.7 μg/mL
Compound: 13
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Antiproliferative activity against human BC cells assessed as inhibition of cell growth incubated for 24 hrs by MTT assay
Antiproliferative activity against human BC cells assessed as inhibition of cell growth incubated for 24 hrs by MTT assay
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[PMID: 36170798] |
| HCT-15 | ED50 |
26.18 μg/mL
Compound: 9
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Cytotoxicity against human HCT15 cells after 48 hrs by SRB assay
Cytotoxicity against human HCT15 cells after 48 hrs by SRB assay
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[PMID: 15921415] |
| HepG2 | IC50 |
3.3 μg/mL
Compound: 13
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Antiproliferative activity against human HepG2 cells assessed as inhibition of cell growth incubated for 24 hrs by MTT assay
Antiproliferative activity against human HepG2 cells assessed as inhibition of cell growth incubated for 24 hrs by MTT assay
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[PMID: 36170798] |
| L1210 | IC50 |
1.1 μg/mL
Compound: 13
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Antiproliferative activity against mouse L1210 cells assessed as inhibition of cell growth incubated for 24 hrs by MTT assay
Antiproliferative activity against mouse L1210 cells assessed as inhibition of cell growth incubated for 24 hrs by MTT assay
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[PMID: 36170798] |
| SK-MEL-2 | ED50 |
>30 μg/mL
Compound: 9
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Cytotoxicity against human SK-MEL-2 cells after 48 hrs by SRB assay
Cytotoxicity against human SK-MEL-2 cells after 48 hrs by SRB assay
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[PMID: 15921415] |
| SK-OV-3 | ED50 |
>30 μg/mL
Compound: 9
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Cytotoxicity against human SKOV3 cells after 48 hrs by SRB assay
Cytotoxicity against human SKOV3 cells after 48 hrs by SRB assay
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[PMID: 15921415] |
| XF498 | ED50 |
>30 μg/mL
Compound: 9
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Cytotoxicity against human XF498 cells after 48 hrs by SRB assay
Cytotoxicity against human XF498 cells after 48 hrs by SRB assay
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[PMID: 15921415] |
Deoxytopsentin (compound 5) (10 μM; 240 nM) potently inhibits recombinant S. aureus PK with an IC50 of 240 nM and exhibits significant selectivity for S. aureus PK over human PK isoforms at 10 μM[1].
Deoxytopsentin displays in vitro antibacterial activity against both methicillin-susceptible and methicillin-resistant S. aureus strains, with activity comparable to or greater than oxacillin against three MRSA strains[1].
Deoxytopsentin docks to the hydrophobic small interface binding pocket of MRSA PK, forming predicted π-stacking and hydrogen bond interactions with key amino acid residues in the pocket[1].
MedChemExpress (MCE) has not independently confirmed the accuracy of these methods. They are for reference only.
Chemical Information
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CAS No. 112515-42-1
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Appearance Solid
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Molecular Weight 326.35
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Formula C20H14N4O
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Color Light yellow to yellow
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SMILES
O=C(C1=CNC2=C1C=CC=C2)C3=NC=C(C4=CNC5=C4C=CC=C5)N3
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Structure Classification
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Initial Source
Topsentia genitrix
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Shipping
Room temperature in continental US; may vary elsewhere.
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Storage
Powder -20°C 3 years 4°C 2 years In solvent -80°C 6 months -20°C 1 month
Solvent & Solubility
DMSO : 100 mg/mL (306.42 mM; Need ultrasonic; Hygroscopic DMSO has a significant impact on the solubility of product, please use newly opened DMSO)
Please refer to the solubility information to select the appropriate solvent. Once prepared, please aliquot and store the solution to prevent product inactivation from repeated freeze-thaw cycles.
Storage method and period of stock solution: -80°C, 6 months; -20°C, 1 month. When stored at -80°C, please use it within 6 months. When stored at -20°C, please use it within 1 month.
Please refer to the solubility information to select the appropriate solvent. Once prepared, please aliquot and store the solution to prevent product inactivation from repeated freeze-thaw cycles.
Storage method and period of stock solution: -80°C, 6 months; -20°C, 1 month. When stored at -80°C, please use it within 6 months. When stored at -20°C, please use it within 1 month.
Concentration (start) × Volume (start) = Concentration (final) × Volume (final)
Select the appropriate dissolution method based on your experimental animal and administration route.
- For the following dissolution methods, please ensure to first prepare a clear stock solution using an In Vitro approach and then sequentially add co-solvents:
- To ensure reliable experimental results, the clarified stock solution can be appropriately stored based on storage conditions. As for the working solution for In Vivo experiments, it is recommended to prepare freshly and use it on the same day.
- The percentages shown for the solvents indicate their volumetric ratio in the final prepared solution. If precipitation or phase separation occurs during preparation, heat and/or sonication can be used to aid dissolution.
Add each solvent one by one: 10% DMSO 40% PEG300 5% Tween-80 45% Saline
Solubility: ≥ 2.5 mg/mL (7.66 mM); Clear solution
This protocol yields a clear solution of ≥ 2.5 mg/mL (saturation unknown).
Taking 1 mL working solution as an example, add 100 μL DMSO stock solution (25.0 mg/mL) to 400 μL PEG300, and mix evenly; then add 50 μL Tween-80 and mix evenly; then add 450 μL Saline to adjust the volume to 1 mL.
Preparation of Saline: Dissolve 0.9 g sodium chloride in ddH₂O and dilute to 100 mL to obtain a clear Saline solution.
Add each solvent one by one: 10% DMSO 90% (20% SBE-β-CD in Saline)
Solubility: ≥ 2.5 mg/mL (7.66 mM); Clear solution
This protocol yields a clear solution of ≥ 2.5 mg/mL (saturation unknown).
Taking 1 mL working solution as an example, add 100 μL DMSO stock solution (25.0 mg/mL) to 900 μL 20% SBE-β-CD in Saline, and mix evenly.
Preparation of 20% SBE-β-CD in Saline (4°C, storage for one week): 2 g SBE-β-CD powder is dissolved in 10 mL Saline, completely dissolve until clear.
Please enter the basic information of animal experiments:
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Recommended: Prepare an additional quantity of animals to account for potential losses during experiments.
Please enter your animal formula composition:
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%DMSO +
Recommended: Keep the proportion of DMSO in working solution below 2% if your animal is weak.
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%+
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+%Tween-80 + +
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%Saline +
The co-solvents required include: DMSO, . All of co-solvents are available by MedChemExpress (MCE). , Tween 80. All of co-solvents are available by MedChemExpress (MCE).
Working solution concentration: 0.22 mg/mL
Method for preparing stock solution: mg drug dissolved in μL DMSO. Stock solution concentration: mg/mL.
1. Take μL DMSO stock solution;
2. Add μL .
μL , mix evenly;
3. Then add μL Tween 80, mix evenly;
4. Then add μL
Please ensure that the stock solution in the first step is dissolved to a clear state, and add co-solvents in sequence. You can use ultrasonic heating (ultrasonic cleaner, recommended frequency 20-40 kHz), vortexing, etc. to assist dissolution.
Purity & Documentation
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Data Sheet (275 KB)
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SDS (251 KB)
- English - EN (251 KB)
- Français - FR (251 KB)
- Deutsch - DE (251 KB)
- Norwegian - NO (251 KB)
- Español - ES (251 KB)
- Swedish - SV (251 KB)
- Italian - IT (251 KB)
- Korean - KR (251 KB)
- Portuguese - PT (251 KB)
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Handling Instructions (2659 KB)
References
Complete Stock Solution Preparation Table
Please refer to the solubility information to select the appropriate solvent. Once prepared, please aliquot and store the solution to prevent product inactivation from repeated freeze-thaw cycles.
Storage method and period of stock solution: -80°C, 6 months; -20°C, 1 month. When stored at -80°C, please use it within 6 months. When stored at -20°C, please use it within 1 month.
| Optional Solvent | Concentration Solvent Mass | 1 mg | 5 mg | 10 mg | 25 mg |
|---|---|---|---|---|---|
| DMSO | 1 mM | 3.0642 mL | 15.3210 mL | 30.6419 mL | 76.6049 mL |
| 5 mM | 0.6128 mL | 3.0642 mL | 6.1284 mL | 15.3210 mL | |
| 10 mM | 0.3064 mL | 1.5321 mL | 3.0642 mL | 7.6605 mL | |
| 15 mM | 0.2043 mL | 1.0214 mL | 2.0428 mL | 5.1070 mL | |
| 20 mM | 0.1532 mL | 0.7660 mL | 1.5321 mL | 3.8302 mL | |
| 25 mM | 0.1226 mL | 0.6128 mL | 1.2257 mL | 3.0642 mL | |
| 30 mM | 0.1021 mL | 0.5107 mL | 1.0214 mL | 2.5535 mL | |
| 40 mM | 0.0766 mL | 0.3830 mL | 0.7660 mL | 1.9151 mL | |
| 50 mM | 0.0613 mL | 0.3064 mL | 0.6128 mL | 1.5321 mL | |
| 60 mM | 0.0511 mL | 0.2553 mL | 0.5107 mL | 1.2767 mL | |
| 80 mM | 0.0383 mL | 0.1915 mL | 0.3830 mL | 0.9576 mL | |
| 100 mM | 0.0306 mL | 0.1532 mL | 0.3064 mL | 0.7660 mL |
Deoxytopsentin Related Classifications
HY-N15451 Related Classifications
Powered by Bioz
- Deoxytopsentin
- 112515-42-1
- Pyruvate Kinase
- methicillin-resistant strains of Staphylococcus aureus
- human PK isoforms
- sponges
- methicillin-susceptible S. aureus strains
- MRSA PK
- methicillin-resistant staphylococcus aureus infection
- MRSA pyruvate kinase
- amino acid residues
- hydrophobic small interface binding pocket
- Inhibitor
- inhibitor
- inhibit