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| 10mg |
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| 25mg |
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| 50mg |
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Nortadalafil (Demethyl Tadalafil) is the demethylated metabolite/impurity of Tadalafil, which is a potent PDE5 inhibitor approved as an oral drug for treating erectile dysfunction (ED).
| Targets |
PDE5
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|---|---|
| ln Vitro |
To identify an unknown tadalafil analogue illegally adulterated in health foods. METHODS An unknown tadalafil analogue was observed in a routine screening for compounds illegally adulterated in heath foods by HPLC-DAD. The compound of interest was isolated by silica gel thin layer chromatography. Its molecular weight and structural fragments were obtained by UPLC-MS/MS, and its 1H-NMR spectum was also obtained using nuclear magnetic resonance. Its structure is elucidated by analysis of these data in combination of the literature. RESULTS A new tadalafil analogue, nortadalafil, was detected in health foods.CONCLUSION This is the first time to disclose that nortadalafil was illegally adulterated in health foods. It′s necessary to supplement the current inspection standard, which lists 11 target compounds but not including nortadalafil, to punish the illegal producers in time[4].
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| References |
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| Additional Infomation |
This study determined the configurations of the tadalafil, nortadalafil, and holotahalafil isomers in dietary supplements. The subjects were honey products and tablets (containing tadalafil) purchased online, as well as candies (containing nortadalafil and holotahalafil). Circular dichroism (CD) was used to determine the composition of each drug component isolated from the products. The results showed that the CD spectra of each isolated drug component were consistent with the standard CD spectra of the 6R,12aR isomer, confirming that each isolated tadalafil or tadalafil analog was a 6R,12aR isomer. It has been reported that the 6R,12aR isomer of tadalafil has the strongest inhibitory activity against phosphodiesterase type 5. It has been reported that the 6R,12aR isomers of notadalafil and holotahalafil have potential inhibitory activity. Therefore, the 6R,12aR isomer appears to be frequently used in this product. [5]
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| Molecular Formula |
C21H17N3O4
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|---|---|
| Molecular Weight |
375.3774
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| Exact Mass |
375.121
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| Elemental Analysis |
C, 67.19; H, 4.56; N, 11.19; O, 17.05
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| CAS # |
171596-36-4
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| Related CAS # |
Tadalafil;171596-29-5;cis-Tadalafil;171596-27-3;ent-Tadalafil;629652-72-8;cis-ent-Tadalafil;171596-28-4;Tadalafil-d3;960226-55-5
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| PubChem CID |
9820973
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| Appearance |
White to off-white solid powder
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| Density |
1.6±0.1 g/cm3
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| Boiling Point |
718.6±60.0 °C at 760 mmHg
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| Flash Point |
388.4±32.9 °C
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| Vapour Pressure |
0.0±2.3 mmHg at 25°C
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| Index of Refraction |
1.772
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| LogP |
0.38
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| Hydrogen Bond Donor Count |
2
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| Hydrogen Bond Acceptor Count |
4
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| Rotatable Bond Count |
1
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| Heavy Atom Count |
28
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| Complexity |
672
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| Defined Atom Stereocenter Count |
2
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| SMILES |
C1[C@@H]2C(=O)NCC(=O)N2[C@@H](C3=C1C4=CC=CC=C4N3)C5=CC6=C(C=C5)OCO6
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| InChi Key |
XHDLVMPUSXRZOS-FOIQADDNSA-N
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| InChi Code |
InChI=1S/C21H17N3O4/c25-18-9-22-21(26)15-8-13-12-3-1-2-4-14(12)23-19(13)20(24(15)18)11-5-6-16-17(7-11)28-10-27-16/h1-7,15,20,23H,8-10H2,(H,22,26)/t15-,20-/m1/s1
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| Chemical Name |
(2R,8R)-2-(1,3-benzodioxol-5-yl)-3,6,17-triazatetracyclo[8.7.0.03,8.011,16]heptadeca-1(10),11,13,15-tetraene-4,7-dione
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| Synonyms |
Nortadalafil; 171596-36-4; Demethyltadalafil; N-Desmethyl Tadalafil; Demethyl Tadalafil; (+)-Nortadalafil; 5W59DMB3LD; CHEMBL342008;
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| HS Tariff Code |
2934.99.9001
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| Storage |
Powder -20°C 3 years 4°C 2 years In solvent -80°C 6 months -20°C 1 month |
| Shipping Condition |
Room temperature (This product is stable at ambient temperature for a few days during ordinary shipping and time spent in Customs)
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| Solubility (In Vitro) |
DMSO : ~50 mg/mL (~133.20 mM)
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|---|---|
| Solubility (In Vivo) |
Solubility in Formulation 1: ≥ 2.5 mg/mL (6.66 mM) (saturation unknown) in 10% DMSO + 40% PEG300 + 5% Tween80 + 45% Saline (add these co-solvents sequentially from left to right, and one by one), clear solution.
For example, if 1 mL of working solution is to be prepared, you can add 100 μL of 25.0 mg/mL clear DMSO stock solution to 400 μL PEG300 and mix evenly; then add 50 μL Tween-80 to the above solution and mix evenly; then add 450 μL normal saline to adjust the volume to 1 mL. Preparation of saline: Dissolve 0.9 g of sodium chloride in 100 mL ddH₂ O to obtain a clear solution. Solubility in Formulation 2: ≥ 2.5 mg/mL (6.66 mM) (saturation unknown) in 10% DMSO + 90% Corn Oil (add these co-solvents sequentially from left to right, and one by one), clear solution. For example, if 1 mL of working solution is to be prepared, you can add 100 μL of 25.0 mg/mL clear DMSO stock solution to 900 μL of corn oil and mix evenly. (Please use freshly prepared in vivo formulations for optimal results.) |
| Preparing Stock Solutions | 1 mg | 5 mg | 10 mg | |
| 1 mM | 2.6640 mL | 13.3198 mL | 26.6397 mL | |
| 5 mM | 0.5328 mL | 2.6640 mL | 5.3279 mL | |
| 10 mM | 0.2664 mL | 1.3320 mL | 2.6640 mL |
*Note: Please select an appropriate solvent for the preparation of stock solution based on your experiment needs. For most products, DMSO can be used for preparing stock solutions (e.g. 5 mM, 10 mM, or 20 mM concentration); some products with high aqueous solubility may be dissolved in water directly. Solubility information is available at the above Solubility Data section. Once the stock solution is prepared, aliquot it to routine usage volumes and store at -20°C or -80°C. Avoid repeated freeze and thaw cycles.
Calculation results
Working concentration： mg/mL；
Method for preparing DMSO stock solution： mg drug pre-dissolved in μL DMSO (stock solution concentration mg/mL). Please contact us first if the concentration exceeds the DMSO solubility of the batch of drug.
Method for preparing in vivo formulation:：Take μL DMSO stock solution, next add μL PEG300, mix and clarify, next addμL Tween 80, mix and clarify, next add μL ddH2O，mix and clarify.
(1) Please be sure that the solution is clear before the addition of next solvent. Dissolution methods like vortex, ultrasound or warming and heat may be used to aid dissolving.
(2) Be sure to add the solvent(s) in order.
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