NNMT-IN-4
Based on 1 Customer Validation
NNMT-IN-4 (compound 38) is a selective, uncompetitive and membrane permeability nicotinamide N-methyltransferase (NNMT) inhibitor with IC50 values of 42 and 38 nM in vitro biochemical and cell-based assays, respectively. NNMT-IN-4 shows favorable PK/PD and safety profiles as well as excellent oral bioavailability and pharmaceutical properties. NNMT-IN-4 can be used as a vivo chemical probe of NNMT.
For research use only. We do not sell to patients.
- Purity: 99.35%
- CAS No.: 2947393-64-6
- Formula: C9H11N3O
- Molecular Weight:177.20
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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
IC50: 38 nM (NNMT, in K562 cells), 42 nM (promega MTase-Glo methyltransferase assay)[1]
NNMT-IN-4 (5 nM-0.5 mM; 24 h) shows inhibitory effect to NNMT with an IC50 value of 38 nM in K562 cells[1]. NNMT-IN-4 (5 nM-0.5 mM; 24 h) shows inhibitory effect to NNMT with an IC50 value of 42 nM in promega MTase-Glo methyltransferase assay[1].
MedChemExpress (MCE) has not independently confirmed the accuracy of these methods. They are for reference only.
| Mice PO 50 mg/kg |
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| T1/2 (h) | 2.89 |
| Tmax (h) | 0.250 |
| Cmax (ng/mL) | 22500 |
| AUClast (ng*h/mL) | 51115 |
| CI (1 mg/kg IV) (mL/min/kg) | 36.1 |
| F (%) | 220 |
MedChemExpress (MCE) has not independently confirmed the accuracy of these methods. They are for reference only.
Chemical Information
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CAS No. 2947393-64-6
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Appearance Solid
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Molecular Weight 177.20
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Formula C9H11N3O
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Color White to off-white
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SMILES
C[C@@H]1CC2=C(N1)N=CC(C(N)=O)=C2
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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 (564.33 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)
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 (28.22 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 (28.22 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.
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 (271 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 | 5.6433 mL | 28.2167 mL | 56.4334 mL | 141.0835 mL |
| 5 mM | 1.1287 mL | 5.6433 mL | 11.2867 mL | 28.2167 mL | |
| 10 mM | 0.5643 mL | 2.8217 mL | 5.6433 mL | 14.1084 mL | |
| 15 mM | 0.3762 mL | 1.8811 mL | 3.7622 mL | 9.4056 mL | |
| 20 mM | 0.2822 mL | 1.4108 mL | 2.8217 mL | 7.0542 mL | |
| 25 mM | 0.2257 mL | 1.1287 mL | 2.2573 mL | 5.6433 mL | |
| 30 mM | 0.1881 mL | 0.9406 mL | 1.8811 mL | 4.7028 mL | |
| 40 mM | 0.1411 mL | 0.7054 mL | 1.4108 mL | 3.5271 mL | |
| 50 mM | 0.1129 mL | 0.5643 mL | 1.1287 mL | 2.8217 mL | |
| 60 mM | 0.0941 mL | 0.4703 mL | 0.9406 mL | 2.3514 mL | |
| 80 mM | 0.0705 mL | 0.3527 mL | 0.7054 mL | 1.7635 mL | |
| 100 mM | 0.0564 mL | 0.2822 mL | 0.5643 mL | 1.4108 mL |
NNMT-IN-4 Related Classifications
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