Tacrolimus 8-epimer
Based on 1 Customer Validation
Tacrolimus 8-epimer (Tacrolimus EP impurity D) is the C-8 epimer and degradation impurity of Tacrolimus (HY-13756). Tacrolimus 8-epimer forms via base-catalyzed epimerization of Tacrolimus, and also generates under iodine-catalyzed free radical conditions. Tacrolimus 8-epimer is mainly used as a reference substance for impurity analysis, pharmaceutical quality control and stability-related studies of Tacrolimus.
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- Purity : 96.64%
- CAS No.: 129212-35-7
- 화학식: C44H69NO12
- 분자량:804.02
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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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Biological Activity
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Chemical Information
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용액&용해도
- 순도&문서
- References
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Help & FAQs
Biological Activity
제품 설명
In Vitro
Tacrolimus 8-epimer (Tacrolimus EP impurity D) (compound 2) can be prepared via DBN (1,5-diazabicyclo[4.3.0]non-5-ene; 302 mg; 2.4 mmol)-catalyzed epimerization of Tacrolimus (1 g; 1.2 mmol) in dichloromethane (CH2Cl2). The reaction system is slowly warmed from 0°C to room temperature and stirred overnight. After purification by preparative reverse-phase HPLC, 147 mg of white amorphous Tacrolimus 8-epimer is obtained with a yield of 14.7%, and crystals suitable for single-crystal X-ray diffraction analysis are obtained via crystallization[2].
Tacrolimus 8-epimer is a transformation product that may form during the production, formulation preparation or storage of Tacrolimus. The prepared Tacrolimus transformation product is mainly used as a reference substance in pharmaceutical impurity analysis, and assists in the identification of Tacrolimus degradation impurities via methods such as HPLC, NMR and mass spectrometry[3].
MedChemExpress (MCE) has not independently confirmed the accuracy of these methods. They are for reference only. .
Chemical Information
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CAS No. 129212-35-7
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Appearance Solid
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분자량 804.02
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화학식 C44H69NO12
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Color White to off-white
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SMILES
CO[C@@H]1[C@]2([H])O[C@]([C@@H](C1)C)(C(C(N3[C@](CCCC3)([H])C(O[C@@H]([C@@H]([C@H](CC([C@H](/C=C(C[C@@H](C[C@@H]2OC)C)\C)CC=C)=O)O)C)/C(C)=C/[C@H]4C[C@H]([C@@H](CC4)O)OC)=O)=O)=O)O
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Synonyms
Tacrolimus EP impurity D; 8-epi-Tacrolimus
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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
In Vitro:
DMSO : 100 mg/mL (124.38 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)
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: ≥ 2.5 mg/mL (3.11 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.
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.
순도&문서
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Data Sheet (296 KB)
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SDS (419 KB)
- English - EN (419 KB)
- Français - FR (419 KB)
- Deutsch - DE (419 KB)
- Norwegian - NO (419 KB)
- Español - ES (419 KB)
- Swedish - SV (419 KB)
- Italian - IT (419 KB)
- Korean - KR (419 KB)
- Portuguese - PT (419 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 | 1.2438 mL | 6.2188 mL | 12.4375 mL | 31.0938 mL |
| 5 mM | 0.2488 mL | 1.2438 mL | 2.4875 mL | 6.2188 mL | |
| 10 mM | 0.1244 mL | 0.6219 mL | 1.2438 mL | 3.1094 mL | |
| 15 mM | 0.0829 mL | 0.4146 mL | 0.8292 mL | 2.0729 mL | |
| 20 mM | 0.0622 mL | 0.3109 mL | 0.6219 mL | 1.5547 mL | |
| 25 mM | 0.0498 mL | 0.2488 mL | 0.4975 mL | 1.2438 mL | |
| 30 mM | 0.0415 mL | 0.2073 mL | 0.4146 mL | 1.0365 mL | |
| 40 mM | 0.0311 mL | 0.1555 mL | 0.3109 mL | 0.7773 mL | |
| 50 mM | 0.0249 mL | 0.1244 mL | 0.2488 mL | 0.6219 mL | |
| 60 mM | 0.0207 mL | 0.1036 mL | 0.2073 mL | 0.5182 mL | |
| 80 mM | 0.0155 mL | 0.0777 mL | 0.1555 mL | 0.3887 mL | |
| 100 mM | 0.0124 mL | 0.0622 mL | 0.1244 mL | 0.3109 mL |
Tacrolimus 8-epimer Related Classifications
HY-Z8754 Related Classifications
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Keywords
- Tacrolimus 8-epimer
- 129212-35-7
- Tacrolimus EP impurity D
- 8-epi-Tacrolimus
- Drug Isomer
- free radical catalysis
- β-hydroxyketone moiety
- C-8 epimerization
- tacrolimus
- thermal radical-initiated conditions
- RP-HPLC
- acidic conditions
- mild alkaline conditions
- photolytic conditions
- p-toluenesulphonic acid
- Inhibitor
- inhibitor
- inhibit