SMIP-031
Based on 1 Customer Validation
SMIP-031 is a potent and orally active PPM1A inhibitor with an IC50 value of 180 nM. SMIP-031 induces autophagy. SMIP-031 inhibits Mycobacterium tuberculosis infect in mice.
For research use only. We do not sell to patients.
- Purity : 98.60%
- Formula: C17H17BrFNO2
- Molecular Weight:366.22
-
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]
-
Biological Activity
-
Chemical Information
-
Solvent & Solubility
- Protocols
- Purity & Documentation
- References
-
Help & FAQs
Biological Activity
Description
IC50 & Target
IC50: 180 nM (PPM1A)[1]
Cellular Effect
|
Cell Line
|
Type | Value | Description | References |
|---|---|---|---|---|
| Caco-2 | CC50 |
>200 μM
Compound: SMIP-031
|
Cytotoxicity against human Caco-2 cells by resazurin dye based assay
Cytotoxicity against human Caco-2 cells by resazurin dye based assay
|
[PMID: 38958057] |
| THP-1 | CC50 |
138.33 μM
Compound: SMIP-031
|
Cytotoxicity against human THP-1 cells by resazurin dye based assay
Cytotoxicity against human THP-1 cells by resazurin dye based assay
|
[PMID: 38958057] |
In Vitro
SMIP-031 (0.5, 1, 2.5,5 µM; 5 days) reduces Mycobacterium tuberculosis (Mtb) burden in infected THP-1 cells in a dose-dependent manner[1].
SMIP-031 (0.25, 0.5, 1, 2, 4, 8 µM) induces autophagy by decreasing the protein expression of S403-p62 in Mtb-infected THP-1 macrophages[1].
MedChemExpress (MCE) has not independently confirmed the accuracy of these methods. They are for reference only. Further protocols information, click here.
-
Cell Line:THP-1 macrophages (Mtb-infected)
-
Concentration:0.25, 0.5, 1, 2, 4, 8 µM (bafilomycin 100 nM)
-
Incubation Time:
-
Result:Iecreased the protein expression of S403-p62 in a dose-dependent manner.
In Vivo
Pharmacokinetic Parameters (ICR (CD-1) mice; i.v. for 2 mg/kg; p.o. for 10 mg/kg)[1].
| administration | T1/2 (h) | Tmax (h) | Cmax (ng/mL) | AUClast (h*ng/mL) | AUCINF-obs (h*ng/mL) | CL obs (mL/min/kg) | F (%) |
| p.o. | 0.771 | 0.250 | 908 | 759 | 761 | - | 73.7 |
| i.v. | 0.634 | - | - | 206 | 208 | >170 | - |
MedChemExpress (MCE) has not independently confirmed the accuracy of these methods. They are for reference only.
-
Animal Model:BALB/c mice (Mtb mc26206 strain)[1]
-
Dosage:12.5, 50 mg/kg
-
Administration:I.p.; daily for 14 days
-
Result:Reduced the Mtb burden and no weight loss or visible signs of toxicity were observed during the experiment.
Chemical Information
-
Appearance Solid
-
Molecular Weight 366.22
-
Formula C17H17BrFNO2
-
Color White to light yellow
-
SMILES
OCC[N+]1=CC2=C(C=CC(OCC)=C2)C3=CC(F)=CC=C31.[Br-]
-
Shipping
Room temperature in continental US; may vary elsewhere.
-
Storage
Powder -20°C 3 years 4°C 2 years In solvent -80°C 6 months -20°C 1 month
Solvent & Solubility
In Vitro:
DMSO : 50 mg/mL (136.53 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, 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)
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: ≥ 5 mg/mL (13.65 mM); Clear solution
This protocol yields a clear solution of ≥ 5 mg/mL (saturation unknown).
Taking 1 mL working solution as an example, add 100 μL DMSO stock solution (50.0 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: ≥ 5 mg/mL (13.65 mM); Clear solution
This protocol yields a clear solution of ≥ 5 mg/mL (saturation unknown).
Taking 1 mL working solution as an example, add 100 μL DMSO stock solution (50.0 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.
In Vivo Dissolution Calculator
Please enter the basic information of animal experiments:
-
-
-
-
Recommended: Prepare an additional quantity of animals to account for potential losses during experiments.
Please enter your animal formula composition:
-
%DMSO +
Recommended: Keep the proportion of DMSO in working solution below 2% if your animal is weak.
-
%+
-
+%Tween-80 + +
-
%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.
Protocols
-
Cell Cytotoxicity Assay
Cytotoxicity assays are usually based on the assessment of cell membrane damage, which can also be indirectly detected by measuring cell viability. Detection methods include MTT assay, CKK-8 assay, LDH assay and ATP assay, etc.
-
Autophagy
Autophagy is a process in which eukaryotic cells use lysosomes to degrade their own cytoplasmic proteins and damaged organelles under the regulation of autophagy related gene (Atg). Microtubule-associated proteins light chain 3 (LC3) is recognized as autophagy marker, which transfers from cytoplasmic LC3 (LC3-I) to membrane type (LC3-II). LC3-II/I ratio could be detected by Western Blot and fluorescence microscopy.
-
Lysosome and acidic-vesicle live-cell staining
Lysosome and acidic-vesicle live-cell staining detects acidic intracellular compartments by using membrane-permeant acidotropic probes that accumulate in low-pH vesicles, including lysosomes, late endosomes, autolysosomes, and acidic phagosomes. LysoTracker staining is commonly used as an intensity-based readout of acidic lysosomal compartment abundance or enlargement, while acridine orange produces green fluorescence in less concentrated compartments and red fluorescence after concentration-dependent accumulation in acidic vesicular organelles. Loss or reduction of acridine-orange red signal can be used as a readout of lysosomal membrane permeabilization or reduced acidic-vesicle integrity. This protocol is designed for live cultured cells and can be adapted for fluorescence microscopy, high-content imaging, plate-reader readout, or flow cytometry when the selected literature supports the readout. Because these dyes report acidotropic accumulation rather than lysosome identity alone,
-
Macroautophagy Solutions
Macroautophagy is a conserved lysosome-dependent degradation pathway in which cytoplasmic material is sequestered into double-membrane autophagosomes and delivered to lysosomes for degradation and recycling. The pathway supports cellular homeostasis during nutrient limitation, organelle stress, protein-aggregate accumulation, infection, differentiation, and tissue remodeling by coupling cargo sequestration, autophagosome maturation, lysosomal fusion, and degradation of cargo-derived macromolecules. The core molecular sequence includes initiation by nutrient- and stress-regulated autophagy machinery, autophagosome nucleation, LC3/ATG8-family conjugation to autophagosomal membranes, cargo selection through receptors such as SQSTM1/p62, autophagosome-lysosome fusion, and lysosomal degradation. LC3 was identified as a mammalian homolog of yeast Atg8 that localizes to autophagosomal membranes after processing, and p62/SQSTM1 was shown to connect ubiquitinated cargo with autophagic degradati
Purity & Documentation
-
Data Sheet (273 KB)
-
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)
-
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 | 2.7306 mL | 13.6530 mL | 27.3060 mL | 68.2650 mL |
| 5 mM | 0.5461 mL | 2.7306 mL | 5.4612 mL | 13.6530 mL | |
| 10 mM | 0.2731 mL | 1.3653 mL | 2.7306 mL | 6.8265 mL | |
| 15 mM | 0.1820 mL | 0.9102 mL | 1.8204 mL | 4.5510 mL | |
| 20 mM | 0.1365 mL | 0.6826 mL | 1.3653 mL | 3.4132 mL | |
| 25 mM | 0.1092 mL | 0.5461 mL | 1.0922 mL | 2.7306 mL | |
| 30 mM | 0.0910 mL | 0.4551 mL | 0.9102 mL | 2.2755 mL | |
| 40 mM | 0.0683 mL | 0.3413 mL | 0.6826 mL | 1.7066 mL | |
| 50 mM | 0.0546 mL | 0.2731 mL | 0.5461 mL | 1.3653 mL | |
| 60 mM | 0.0455 mL | 0.2275 mL | 0.4551 mL | 1.1377 mL | |
| 80 mM | 0.0341 mL | 0.1707 mL | 0.3413 mL | 0.8533 mL | |
| 100 mM | 0.0273 mL | 0.1365 mL | 0.2731 mL | 0.6826 mL |
SMIP-031 Related Classifications
HY-163782 Related Classifications
Powered by Bioz