NDI-091143
Based on 2 publication(s) in Google Scholar
NDI-091143 is a potent and high-affinity human ATP-citrate lyase (ACLY) inhibitor with an IC50 of 2.1 nM (ADP-Glo assay), a Ki of 7.0 nM and a Kd of 2.2 nM. NDI-091143 inhibits ACLY catalysis allosterically, by stabilizing large conformational changes in the citrate domain that indirectly block the binding and recognition of citrate.
Para uso exclusivo en investigación. No vendemos a pacientes.
- Pureza : 99.90%
- No. CAS: 2375840-87-0
- Fòrmula: C20H14ClF2NO5S
- Peso molecular:453.84
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Almacenamiento:Powder -20°C, 3 years , 4°C, 2 years ; In solvent -80°C, 1 year , -20°C, 6 months
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Actividad biológica
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Chemical Information
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Solvente y solubilidad
- Pureza y Documentación
- Referencias
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Help & FAQs
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Publications Citing Use of MedChemExpress (MCE) NDI-091143
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Customer Validation & Images
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Bio/Physico-chemical Assay
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Cell Imaging/Staining
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In Vivo Efficacy Study
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Bio/Physico-chemical Assay
Actividad biológica
Descripciòn
IC50 & Target
IC50: 2.1 nM (human ATP-citrate lyase); Ki: 7.0 nM (human ATP-citrate lyase); Kd: 2.2 nM (human ATP-citrate lyase)[1]
In Vitro
Thermal shift assays shows that NDI-091143 gives rise to considerable stabilization of both full-length ACLY and the N-terminal segment. The thermal shift data are consistent with limited proteolysis experiments using full-length ACLY, in which NDI-091143 together with Mg-ATP provided the greatest protection against digestion by chymotrypsin[1].
MedChemExpress (MCE) has not independently confirmed the accuracy of these methods. They are for reference only.
Chemical Information
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No. CAS 2375840-87-0
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Appearance Solid
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Peso molecular 453.84
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Fòrmula C20H14ClF2NO5S
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Color White to off-white
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SMILES
O=C(OC)C1=CC(S(=O)(NC2=CC(C3=CC=CC=C3)=C(F)C=C2F)=O)=C(O)C(Cl)=C1
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Envío
Room temperature in continental US; may vary elsewhere.
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Almacenamiento
Powder -20°C 3 years 4°C 2 years In solvent -80°C 1 year -20°C 6 months
Publications (2)
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Journal Impact Factor
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Most Recent
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Chem Biol Interact
Discovery and characterization of novel ATP citrate lyase inhibitors from natural products by a luminescence-based assay. [Abstract]2022 Nov 1:367:110199. PMID: 36174740
NDI-091143 purchased from MedChemExpress. Usage Cited in: Chem Biol Interact. 2022 Nov 1:367:110199. [Abstract]
Using optimized conditions, we validated our method with BMS-303141 and NDI-091143.
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NDI-091143 purchased from MedChemExpress. Usage Cited in: Research Square Preprint. 2023 Oct 11.
After NDI-091143 treatment (40 μM, 24h), the intracellular acetyl-CoA level in CAFs decreased significantly.
NDI-091143 purchased from MedChemExpress. Usage Cited in: Research Square Preprint. 2023 Oct 11.
CAFs under NDI-091143 treatment showed reduced intracellular LD density and CM FFA concentration.
NDI-091143 purchased from MedChemExpress. Usage Cited in: Research Square Preprint. 2023 Oct 11.
CAL27 and CAFs were injected subcutaneously into nude mice and the mice from indicated group were administered with NDI-091143 alone or combined with MK2206. As expected, treatments with NDI091143 (240 mg/kg every 3 days, oral gavage) and/or MK2206 suppressed tumor formation ability in mice.
Solvente y solubilidad
In Vitro:
DMSO : 100 mg/mL (220.34 mM; ultrasonic and warming and heat to 60°C; 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, 1 year; -20°C, 6 months. When stored at -80°C, please use it within 1 year. When stored at -20°C, please use it within 6 months.
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, 1 year; -20°C, 6 months. When stored at -80°C, please use it within 1 year. When stored at -20°C, please use it within 6 months.
Concentration (start) × Volume (start) = Concentration (final) × Volume (final)
In Vivo:
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: ≥ 2.08 mg/mL (4.58 mM); Clear solution
This protocol yields a clear solution of ≥ 2.08 mg/mL (saturation unknown).
Taking 1 mL working solution as an example, add 100 μL DMSO stock solution (20.8 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: ≥ 2.08 mg/mL (4.58 mM); Clear solution
This protocol yields a clear solution of ≥ 2.08 mg/mL (saturation unknown).
Taking 1 mL working solution as an example, add 100 μL DMSO stock solution (20.8 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.
In Vivo Dissolution Calculator
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.
Pureza y Documentación
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Ficha de datos (274 KB)
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SDS (396 KB)
- English - EN (396 KB)
- Français - FR (396 KB)
- Deutsch - DE (396 KB)
- Norwegian - NO (396 KB)
- Español - ES (396 KB)
- Swedish - SV (396 KB)
- Italian - IT (396 KB)
- Korean - KR (396 KB)
- Portuguese - PT (396 KB)
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Instrucciones de manejo (2659 KB)
Referencias
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, 1 year; -20°C, 6 months. When stored at -80°C, please use it within 1 year. When stored at -20°C, please use it within 6 months.
| Optional Solvent | Concentration Solvent Mass | 1 mg | 5 mg | 10 mg | 25 mg |
|---|---|---|---|---|---|
| DMSO | 1 mM | 2.2034 mL | 11.0171 mL | 22.0342 mL | 55.0855 mL |
| 5 mM | 0.4407 mL | 2.2034 mL | 4.4068 mL | 11.0171 mL | |
| 10 mM | 0.2203 mL | 1.1017 mL | 2.2034 mL | 5.5085 mL | |
| 15 mM | 0.1469 mL | 0.7345 mL | 1.4689 mL | 3.6724 mL | |
| 20 mM | 0.1102 mL | 0.5509 mL | 1.1017 mL | 2.7543 mL | |
| 25 mM | 0.0881 mL | 0.4407 mL | 0.8814 mL | 2.2034 mL | |
| 30 mM | 0.0734 mL | 0.3672 mL | 0.7345 mL | 1.8362 mL | |
| 40 mM | 0.0551 mL | 0.2754 mL | 0.5509 mL | 1.3771 mL | |
| 50 mM | 0.0441 mL | 0.2203 mL | 0.4407 mL | 1.1017 mL | |
| 60 mM | 0.0367 mL | 0.1836 mL | 0.3672 mL | 0.9181 mL | |
| 80 mM | 0.0275 mL | 0.1377 mL | 0.2754 mL | 0.6886 mL | |
| 100 mM | 0.0220 mL | 0.1102 mL | 0.2203 mL | 0.5509 mL |
NDI-091143 Related Classifications
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