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| Targets |
(-)-Corey lactone benzoate is used as a precursor in the synthesis of prostaglandins (PGs), as well as the agonist of the PGE2 receptor subtype EP4, rivenprost. It does not have a direct biological target but is a synthetic intermediate for compounds that target prostaglandin receptors.
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| ln Vitro |
In vitro, (-)-Corey lactone benzoate is used as a synthetic intermediate for the preparation of prostaglandin analogues. It does not have direct biological activity but is converted to active prostaglandin derivatives. Its role is in chemical synthesis rather than direct pharmacological activity.
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| ln Vivo |
In vivo, (-)-Corey lactone benzoate is not used as a therapeutic agent. The prostaglandin analogues prepared from this intermediate have vasodilator activity and act as EP4 receptor agonists. The compound itself is a synthetic building block.
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| Enzyme Assay |
Cell-free assays for (-)-Corey lactone benzoate: the compound is characterized by NMR, HPLC, and other analytical techniques. It is used as a starting material in organic synthesis. No specific biological assays are applicable as it is a synthetic intermediate rather than a bioactive compound.
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| Cell Assay |
Cellular assays for (-)-Corey lactone benzoate: the compound is not typically used in cellular assays as it is a synthetic intermediate. The prostaglandin analogues derived from it are tested in cellular models for receptor binding and activity. No direct cellular effects of the compound itself are reported.
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| Animal Protocol |
In vivo animal studies for (-)-Corey lactone benzoate: the compound is not administered to animals directly. The prostaglandin analogues synthesized from it are tested in animal models for vasodilator activity and other pharmacological effects. No direct in vivo data are available for the compound itself.
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| ADME/Pharmacokinetics |
Pharmacokinetic properties of (-)-Corey lactone benzoate: as a small molecule (molecular weight 276.29), it may have moderate bioavailability if administered. However, it is not used as a therapeutic agent. Its stability and storage conditions are well characterized: store at room temperature in a cool, dark place (<15°C).
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| Toxicity/Toxicokinetics |
Toxicity of (-)-Corey lactone benzoate: as a synthetic intermediate, comprehensive toxicity data are limited. It is for research use only and not intended for human consumption. Standard laboratory safety precautions should be followed during handling.
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| References |
[1]. 5R)-9-(4,5-bishydroxy-methylcyclopent-2-en-1-yl)-9H-adenine [(-)-BCA] and selective inhibition of human immunodeficiency virus. , 33(24), 3507–3510.
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| Additional Infomation |
(-)-Corey lactone benzoate is a research compound used as a synthetic intermediate in prostaglandin chemistry. It is available from various suppliers as a reference standard for organic synthesis. Its primary application is in the preparation of prostaglandin analogues and EP4 receptor agonists. No clinical applications have been reported.
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| Molecular Formula |
C15H16O5
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|---|---|
| Molecular Weight |
276.28
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| Exact Mass |
276.099
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| CAS # |
39746-00-4
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| PubChem CID |
2724454
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| Appearance |
White to off-white solid powder
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| Density |
1.3±0.1 g/cm3
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| Boiling Point |
481.9±30.0 °C at 760 mmHg
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| Melting Point |
116-120 °C
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| Flash Point |
183.3±18.1 °C
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| Vapour Pressure |
0.0±1.3 mmHg at 25°C
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| Index of Refraction |
1.588
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| LogP |
0.68
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| Hydrogen Bond Donor Count |
1
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| Hydrogen Bond Acceptor Count |
5
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| Rotatable Bond Count |
4
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| Heavy Atom Count |
20
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| Complexity |
388
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| Defined Atom Stereocenter Count |
4
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| SMILES |
O=C(O[C@H](C1)[C@H](CO)[C@](C2)([H])[C@@]1([H])OC2=O)C3=CC=CC=C3
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| InChi Key |
OBRRYUZUDKVCOO-FVCCEPFGSA-N
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| InChi Code |
InChI=1S/C15H16O5/c16-8-11-10-6-14(17)19-12(10)7-13(11)20-15(18)9-4-2-1-3-5-9/h1-5,10-13,16H,6-8H2/t10-,11-,12+,13-/m1/s1
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| Chemical Name |
[(3aR,4S,5R,6aS)-4-(hydroxymethyl)-2-oxo-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan-5-yl] benzoate
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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) |
May dissolve in DMSO (in most cases), if not, try other solvents such as H2O, Ethanol, or DMF with a minute amount of products to avoid loss of samples
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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 | 3.6195 mL | 18.0976 mL | 36.1952 mL | |
| 5 mM | 0.7239 mL | 3.6195 mL | 7.2390 mL | |
| 10 mM | 0.3620 mL | 1.8098 mL | 3.6195 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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