PDI-IN-1
Based on 1 Customer Validation
PDI-IN-1 is a cell-permeable PDI covalent inhibitor with an IC50 of 1.7 μM against bovine PDI. PDI-IN-1 specifically modifies the Cys397 residue at the active site of human PDI, selectively labels endogenous PDI in living mammalian cancer cells, and effectively inhibits PDI-mediated insulin aggregation in vitro. PDI-IN-1 exhibits significant anti-tumor activity and inhibits the growth of various cancer cell lines.
For research use only. We do not sell to patients.
- Purity: 99.92%
- CAS No.: 1461648-55-4
- Formula: C30H37N3O7S
- Molecular Weight:583.70
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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
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Cell Cycle/DNA Damage Compound Library
HY-L004
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Metabolism/Protease Compound Library
HY-L012
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Anti-Cancer Compound Library
HY-L025
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Anti-Aging Compound Library
HY-L034
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Metabolic Enzyme Compound Library
HY-L146
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Highly Selective Inhibitors Library
HY-L158
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Bioactive Compound Library Max
HY-L181
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MCE Bioactive Compound Library
HY-L001V
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Bioactive Compound Library
HY-L001
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Protein Kinase Compound Library
HY-L196
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High-Throughput Bioactive Compound Library
HY-L205
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Alkyne Compound Library
HY-L258
Biological Activity
IC50: 1.7 μM (PDI)[1].
PDI-IN-1 (compound P1) (50-2500 nM; 2 h) potently labels purified bovine PDI in vitro, with detectable labeling at concentrations as low as 50 nM[1].
PDI-IN-1 (30 min) potently inhibits purified bovine PDI in an insulin aggregation assay, with an IC50 of 1.7 μM[1].
PDI-IN-1 (1-20 μM; 15-180 min) potently and selectively labels endogenous human PDI, along with weaker labeling of PDIA4 and PDIA6, in live MCF-7 cells in a concentration- and time-dependent manner[1].
PDI-IN-1 inhibits the growth of UACC-257, HeLa, HepG2, MCF-7, MDA-MB-231, and T47D human cancer cell lines with GI50 values between 3.7 μM and 4.3 μM[1].
MedChemExpress (MCE) has not independently confirmed the accuracy of these methods. They are for reference only.
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Cell Line:MCF-7 human breast cancer cells
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Concentration:1 μM
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Incubation Time:1 h
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Result:Showed strong colocalization of fluorescence signals from PDI-IN-1 labeling (red) with ER-localized human PDI (green), with weaker signals detected in cell nuclei consistent with labeling of the nuclear-localized PDI isoform PDIA6.
Chemical Information
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CAS No. 1461648-55-4
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Appearance Solid
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Molecular Weight 583.70
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Formula C30H37N3O7S
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Color White to off-white
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SMILES
O=C([C@@H](NC([C@@H](NC(OC(C)(C)C)=O)CC1=CC=CC=C1)=O)CC2=CC=C(C=C2)OS(=O)(C=C)=O)NCCCC#C
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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 (171.32 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.
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 (254 KB)
- English - EN (254 KB)
- Français - FR (254 KB)
- Deutsch - DE (254 KB)
- Norwegian - NO (254 KB)
- Español - ES (254 KB)
- Swedish - SV (254 KB)
- Italian - IT (254 KB)
- Korean - KR (254 KB)
- Portuguese - PT (254 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 |
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| DMSO | 1 mM | 1.7132 mL | 8.5660 mL | 17.1321 mL | 42.8302 mL |
| 5 mM | 0.3426 mL | 1.7132 mL | 3.4264 mL | 8.5660 mL | |
| 10 mM | 0.1713 mL | 0.8566 mL | 1.7132 mL | 4.2830 mL | |
| 15 mM | 0.1142 mL | 0.5711 mL | 1.1421 mL | 2.8553 mL | |
| 20 mM | 0.0857 mL | 0.4283 mL | 0.8566 mL | 2.1415 mL | |
| 25 mM | 0.0685 mL | 0.3426 mL | 0.6853 mL | 1.7132 mL | |
| 30 mM | 0.0571 mL | 0.2855 mL | 0.5711 mL | 1.4277 mL | |
| 40 mM | 0.0428 mL | 0.2142 mL | 0.4283 mL | 1.0708 mL | |
| 50 mM | 0.0343 mL | 0.1713 mL | 0.3426 mL | 0.8566 mL | |
| 60 mM | 0.0286 mL | 0.1428 mL | 0.2855 mL | 0.7138 mL | |
| 80 mM | 0.0214 mL | 0.1071 mL | 0.2142 mL | 0.5354 mL | |
| 100 mM | 0.0171 mL | 0.0857 mL | 0.1713 mL | 0.4283 mL |
PDI-IN-1 Related Classifications
HY-110172 Related Classifications
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