| Size | Price | Stock | Qty |
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| 5mg |
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| 10mg |
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| 25mg |
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| 50mg |
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| 100mg |
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| 250mg | |||
| Other Sizes |
| Targets |
Velaresol targets hemoglobin, specifically stabilizing the oxyhemoglobin conformation. It induces a left shift in the oxygen-hemoglobin dissociation curve, increasing the affinity of hemoglobin for oxygen. This stabilization of the oxy form of hemoglobin prevents the conformational changes that lead to hemoglobin polymerization and subsequent red blood cell sickling.
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|---|---|
| ln Vitro |
In vitro, Velaresol is a potent left-shifting anti-sickling compound. It provides a clear, concentration-dependent preservation of sickle erythrocyte deformability under progressive deoxygenation. In an in vitro filtration assay, a concentration of 1.5 mM BW12C significantly increased deformability compared to untreated controls at all deoxygenation levels below normal arterial PO2.
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| ln Vivo |
In vivo efficacy data for Velaresol are limited. Its primary evaluation has been in vitro due to its mechanism of action. However, it has the potential for use in sickle cell disease research as a tool to study the pathophysiology of sickling and to evaluate potential therapeutic strategies.
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| Enzyme Assay |
In vitro enzyme/receptor binding (non-cell) assays for Velaresol involve the use of hemoglobin solutions or red blood cell suspensions from sickle cell patients. These are incubated with varying concentrations of Velaresol. Oxygen dissociation curves are generated using a hemoximeter to assess the left shift in the curve, indicating increased oxygen affinity. Hemoglobin polymerization is induced by deoxygenation, and the extent of polymerization is measured spectrophotometrically.
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| Cell Assay |
In vitro cell-based experiments for Velaresol are conducted using red blood cells from sickle cell patients. The cells are incubated with Velaresol at various concentrations and then deoxygenated to induce sickling. The percentage of sickled cells is counted microscopically, and the protective effect of Velaresol is quantified. Hemoglobin oxygen affinity is measured using a hemoximeter.
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| Animal Protocol |
In vivo animal experiments for Velaresol could be performed in transgenic sickle cell mouse models. These mice are treated with Velaresol, and hematological parameters, the extent of sickling, and organ pathology are assessed. Efficacy would be compared to hydroxyurea or other anti-sickling agents.
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| ADME/Pharmacokinetics |
Velaresol is orally bioavailable. Detailed pharmacokinetic parameters are available from preclinical studies. It has good systemic exposure and is suitable for in vivo studies.
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| Toxicity/Toxicokinetics |
Velaresol is well-tolerated in preclinical studies. No significant toxicity has been reported at efficacious doses.
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| Additional Infomation |
Velaresol is also known as BW 12C and 12C79. It is a research compound for sickle cell disease. It is not approved for clinical use. Its mechanism of action is distinct from other anti-sickling agents such as hydroxyurea.
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| Molecular Formula |
C12H14O5
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|---|---|
| Molecular Weight |
238.239
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| Exact Mass |
238.084
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| CAS # |
77858-21-0
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| PubChem CID |
72162
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| Appearance |
Light yellow to light brown solid powder
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| Density |
1.293g/cm3
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| Boiling Point |
452.3ºC at 760 mmHg
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| Flash Point |
176.1ºC
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| Index of Refraction |
1.584
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| LogP |
1.838
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| Hydrogen Bond Donor Count |
2
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| Hydrogen Bond Acceptor Count |
5
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| Rotatable Bond Count |
7
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| Heavy Atom Count |
17
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| Complexity |
253
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| Defined Atom Stereocenter Count |
0
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| SMILES |
O=CC1=C(OCCCCC(O)=O)C=CC=C1O
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| InChi Key |
NSUDGNLOXMLAEB-UHFFFAOYSA-N
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| InChi Code |
InChI=1S/C12H14O5/c13-8-9-10(14)4-3-5-11(9)17-7-2-1-6-12(15)16/h3-5,8,14H,1-2,6-7H2,(H,15,16)
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| Chemical Name |
5-(2-formyl-3-hydroxyphenoxy)pentanoic acid
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| Synonyms |
BW-12C79 BW 12C79 Velaresol
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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 Note: This product requires protection from light (avoid light exposure) during transportation and storage. |
| 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 : ~125 mg/mL (~524.68 mM)
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|---|---|
| Solubility (In Vivo) |
Solubility in Formulation 1: ≥ 2.08 mg/mL (8.73 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 20.8 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: ≥ 2.08 mg/mL (8.73 mM) (saturation unknown) in 10% DMSO + 90% (20% SBE-β-CD in 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 20.8 mg/mL clear DMSO stock solution to 900 μL of 20% SBE-β-CD physiological saline solution and mix evenly. Preparation of 20% SBE-β-CD in Saline (4°C，1 week): Dissolve 2 g SBE-β-CD in 10 mL saline to obtain a clear solution. View More
Solubility in Formulation 3: ≥ 2.08 mg/mL (8.73 mM) (saturation unknown) in 10% DMSO + 90% Corn Oil (add these co-solvents sequentially from left to right, and one by one), clear solution. |
| Preparing Stock Solutions | 1 mg | 5 mg | 10 mg | |
| 1 mM | 4.1974 mL | 20.9872 mL | 41.9745 mL | |
| 5 mM | 0.8395 mL | 4.1974 mL | 8.3949 mL | |
| 10 mM | 0.4197 mL | 2.0987 mL | 4.1974 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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