DS44960156
Based on 1 Customer Validation
DS44960156 is a selective MTHFD2 inhibitor with moderate to low blood-brain barrier penetration (IC50=1.6 μM, Ki=1.23 μM). DS44960156 specifically binds to the active site of MTHFD2, disrupts redox homeostasis and blocks serine-mediated one-carbon metabolism, thereby increasing the NAD+/NADH ratio and ROS levels. DS44960156 not only effectively inhibits the proliferation of glioma cells, but also enhances the sensitivity of cells to glutamine starvation-induced death. DS44960156 binds to plasma proteins, shows no mutagenicity, carcinogenicity or acute oral toxicity, and serves as a research agent for glioblastoma multiforme and other cancers.
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- Purity: 99.0%
- CAS No.: 2361327-08-2
- 화학식: C20H15NO5
- 분자량:349.34
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보관:Powder -20°C, 3 years , 4°C, 2 years ; In solvent -80°C, 6 months , -20°C, 1 month
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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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용액&용해도
- 순도&문서
- References
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Help & FAQs
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Metabolism/Protease Compound Library
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Biological Activity
IC50: 1.6 μM (MTHFD2), >30 μM (MTHFD1)[1].
DS44960156 inhibits the viability of LN229 glioblastoma cells with an IC50 of 481.2 μM; it also inhibits the viability of U251 glioblastoma cells with an IC50 of 214.9 μM[1].
DS44960156 (500 μM (LN229), 300 μM (U251); 24 h) inhibits the proliferation and promotes the apoptosis of glioblastoma cells; glutamine starvation conditions enhance the antiproliferative and apoptosis-inducing activities of DS44960156, and increase the NAD+/NADH ratio and ROS levels[1].
DS44960156 exhibits favorable druglike properties, including compliance with standard pharmacokinetic rules, low metabolic risk, and low predicted toxicity, with a plasma protein binding rate of 84.75% and a half-life of 0.77 h[2].
MedChemExpress (MCE) has not independently confirmed the accuracy of these methods. They are for reference only.
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Cell Line:human glioblastoma LN229, U251 cell lines
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Concentration:500 μM (for LN229 cells); 300 μM (for U251 cells)
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Incubation Time:24 h; or 24, 48, 72, 96 h (proliferation measurement post-medium change)
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Result:Inhibited proliferation of LN229 and U251 cells under both glutamine-containing and glutamine-free conditions, with significantly greater antiproliferative effects observed under glutamine starvation.
MedChemExpress (MCE) has not independently confirmed the accuracy of these methods. They are for reference only.
Chemical Information
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CAS No. 2361327-08-2
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Appearance Solid
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분자량 349.34
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화학식 C20H15NO5
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Color White to off-white
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SMILES
O=C(O)C1=CC=C(C(N2CCC(C3=CC=CC=C3O4)=C(C4=O)C2)=O)C=C1
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선적
Room temperature in continental US; may vary elsewhere.
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보관
Powder -20°C 3 years 4°C 2 years In solvent -80°C 6 months -20°C 1 month
용액&용해도
DMSO : 100 mg/mL (286.25 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 (7.16 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 (7.16 mM); Suspended solution
This protocol yields a suspended solution of ≥ 2.5 mg/mL (saturation unknown). Suspended solution can be used for oral and intraperitoneal injection.
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.
순도&문서
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Data Sheet (276 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
[1]. Dekhne AS, et al. Therapeutic Targeting of Mitochondrial One-Carbon Metabolism in Cancer. Mol Cancer Ther. 2020 Nov;19(11):2245-2255. [Content Brief]
[2]. Sun Y, et al. Pharmacological targeting of one‑carbon metabolism as a novel therapeutic strategy for glioblastoma. J Transl Med. 2023 Jun 29;21(1):424. [Content Brief]
[4]. Kawai J, et al. Structure-Based Design and Synthesis of an Isozyme-Selective MTHFD2 Inhibitor with a Tricyclic Coumarin Scaffold. ACS Med Chem Lett. 2019;10(6):893-898. Published 2019 May 24. [Content Brief]
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 | 2.8625 mL | 14.3127 mL | 28.6254 mL | 71.5635 mL |
| 5 mM | 0.5725 mL | 2.8625 mL | 5.7251 mL | 14.3127 mL | |
| 10 mM | 0.2863 mL | 1.4313 mL | 2.8625 mL | 7.1564 mL | |
| 15 mM | 0.1908 mL | 0.9542 mL | 1.9084 mL | 4.7709 mL | |
| 20 mM | 0.1431 mL | 0.7156 mL | 1.4313 mL | 3.5782 mL | |
| 25 mM | 0.1145 mL | 0.5725 mL | 1.1450 mL | 2.8625 mL | |
| 30 mM | 0.0954 mL | 0.4771 mL | 0.9542 mL | 2.3855 mL | |
| 40 mM | 0.0716 mL | 0.3578 mL | 0.7156 mL | 1.7891 mL | |
| 50 mM | 0.0573 mL | 0.2863 mL | 0.5725 mL | 1.4313 mL | |
| 60 mM | 0.0477 mL | 0.2385 mL | 0.4771 mL | 1.1927 mL | |
| 80 mM | 0.0358 mL | 0.1789 mL | 0.3578 mL | 0.8945 mL | |
| 100 mM | 0.0286 mL | 0.1431 mL | 0.2863 mL | 0.7156 mL |
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