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| Additional Infomation |
It has been reported that piracetamic acid A is found in Meehania fargesii, Woodwardia prolifera, and other organisms with relevant data.
- Background and Source: piracetamic acid A is a rare water-soluble small molecule phenolic acid. It was initially found only in Salvia przewalskii Maxim, but its content in natural sources is extremely low[1]. - Preparation Method: This paper reports for the first time the preparation of piracetamic acid A by biotransformation. Tanshinone B (extracted from Salvia przewalskii root) was hydrolyzed using a crude enzyme preparation from Aspergillus oryzae strain D30s. The enzymatic reaction cleaved tanshinone B into two products: tanshinone and piracetamic acid A[1]. - Reaction and Purification Details: The crude enzyme solution was mixed with tanshinone B (final concentration 8 mg/ml, about 11 mM) in acetate buffer (pH 5.0) and reacted at 40°C for 14 hours. The reaction was terminated by adding ethanol. The product was separated and purified using a macroporous adsorption resin column, and eluted sequentially with water, 30% ethanol (for collecting tanshinone), and 50% ethanol (for collecting Prosciutto acid A). The solution was concentrated to obtain the pure compound [1]. - Yield and purity: Using 75 g of tanshinone B as raw material, this process yielded 31.3 g of Prosciutto acid A with a purity of 91.0% and a theoretical conversion rate of 86%. Tanshinone (purity 95%) was also obtained as a byproduct, with a yield of 33% [1]. - Structural identification: The structure of Prosciutto acid A generated by the enzymatic method was identified by ultra-high performance liquid chromatography-mass spectrometry (UPLC-MS) and nuclear magnetic resonance (NMR) spectroscopy. Negative ion ESI-MS showed [M–COOH]⁻ ions at m/z 313.04, indicating a molecular weight of 358. The ¹H and ¹³C NMR spectral data are consistent with the data reported in the literature for Przewalskinic acid A [1]. |
| Molecular Formula |
C18H14O8
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|---|---|
| Molecular Weight |
358.2990
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| Exact Mass |
358.068
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| CAS # |
136112-75-9
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| PubChem CID |
9975641
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| Appearance |
Light yellow to yellow solid powder
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| LogP |
1.6
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| Hydrogen Bond Donor Count |
5
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| Hydrogen Bond Acceptor Count |
8
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| Rotatable Bond Count |
4
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| Heavy Atom Count |
26
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| Complexity |
576
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| Defined Atom Stereocenter Count |
2
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| SMILES |
O1C2=C(C([H])=C([H])C(/C(/[H])=C(\[H])/C(=O)O[H])=C2[C@@]([H])(C(=O)O[H])[C@]1([H])C1C([H])=C([H])C(=C(C=1[H])O[H])O[H])O[H]
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| InChi Key |
GJHXGOBGPWPCCK-DBLORFJXSA-N
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| InChi Code |
InChI=1S/C18H14O8/c19-10-4-2-9(7-12(10)21)16-15(18(24)25)14-8(3-6-13(22)23)1-5-11(20)17(14)26-16/h1-7,15-16,19-21H,(H,22,23)(H,24,25)/b6-3+/t15-,16+/m1/s1
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| Chemical Name |
(2R,3R)-4-[(E)-2-carboxyethenyl]-2-(3,4-dihydroxyphenyl)-7-hydroxy-2,3-dihydro-1-benzofuran-3-carboxylic acid
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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 : ~100 mg/mL (~279.10 mM)
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|---|---|
| Solubility (In Vivo) |
Note: Listed below are some common formulations that may be used to formulate products with low water solubility (e.g. < 1 mg/mL), you may test these formulations using a minute amount of products to avoid loss of samples.
Injection Formulations
Injection Formulation 1: DMSO : Tween 80： Saline = 10 : 5 : 85 (i.e. 100 μL DMSO stock solution → 50 μL Tween 80 → 850 μL Saline)(e.g. IP/IV/IM/SC) *Preparation of saline: Dissolve 0.9 g of sodium chloride in 100 mL ddH ₂ O to obtain a clear solution. Injection Formulation 2: DMSO : PEG300 ：Tween 80 : Saline = 10 : 40 : 5 : 45 (i.e. 100 μL DMSO → 400 μLPEG300 → 50 μL Tween 80 → 450 μL Saline) Injection Formulation 3: DMSO : Corn oil = 10 : 90 (i.e. 100 μL DMSO → 900 μL Corn oil) Example: Take the Injection Formulation 3 (DMSO : Corn oil = 10 : 90) as an example, if 1 mL of 2.5 mg/mL working solution is to be prepared, you can take 100 μL 25 mg/mL DMSO stock solution and add to 900 μL corn oil, mix well to obtain a clear or suspension solution (2.5 mg/mL, ready for use in animals). View More
Injection Formulation 4: DMSO : 20% SBE-β-CD in saline = 10 : 90 [i.e. 100 μL DMSO → 900 μL (20% SBE-β-CD in saline)] Oral Formulations
Oral Formulation 1: Suspend in 0.5% CMC Na (carboxymethylcellulose sodium) Oral Formulation 2: Suspend in 0.5% Carboxymethyl cellulose Example: Take the Oral Formulation 1 (Suspend in 0.5% CMC Na) as an example, if 100 mL of 2.5 mg/mL working solution is to be prepared, you can first prepare 0.5% CMC Na solution by measuring 0.5 g CMC Na and dissolve it in 100 mL ddH2O to obtain a clear solution; then add 250 mg of the product to 100 mL 0.5% CMC Na solution, to make the suspension solution (2.5 mg/mL, ready for use in animals). View More
Oral Formulation 3: Dissolved in PEG400 (Please use freshly prepared in vivo formulations for optimal results.) |
| Preparing Stock Solutions | 1 mg | 5 mg | 10 mg | |
| 1 mM | 2.7910 mL | 13.9548 mL | 27.9096 mL | |
| 5 mM | 0.5582 mL | 2.7910 mL | 5.5819 mL | |
| 10 mM | 0.2791 mL | 1.3955 mL | 2.7910 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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