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| 10mg |
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| 25mg |
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Purity: ≥98%
Tonabersat (also known as SB-220453), a benzopyran derivative, is a novel and potent gap-junction modulator used for the prevention of migraine. Tonabersat inhibits cortical spreading depression (CSD) and therefore might be able to inhibit the early migraine mechanisms. Treatment with either Tonabersat (10 mg/kg) or Meclofenamate (20 mg/kg) as single agents significantly inhibit progression of metastatic lesions. Addition of carboplatin to either agent profoundly inhibits brain metastasis.
| ln Vitro |
Tonabersat is a brand-new benzopyran derivative that has the ability to block early migraine mechanisms by blocking cortical spreading depression (CSD) [1].
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| ln Vivo |
Lesions with metastases are considerably slowed down in their progression by tonabersat (10 mg/kg). NSC 241240 dramatically reduces brain metastases when added to either medication [2].
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| References |
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| Additional Infomation |
Drug Indication
Investigated for use/treatment in migraine and cluster headaches. |
| Molecular Formula |
C20H19NO4FCL
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|---|---|
| Molecular Weight |
391.82056
|
| Exact Mass |
391.099
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| CAS # |
175013-84-0
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| PubChem CID |
6918324
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| Appearance |
White to yellow solid powder
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| Density |
1.38g/cm3
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| Boiling Point |
554.5ºC at 760 mmHg
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| Flash Point |
289.2ºC
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| Vapour Pressure |
3.94E-13mmHg at 25°C
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| Index of Refraction |
1.612
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| LogP |
4.075
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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 |
3
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| Heavy Atom Count |
27
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| Complexity |
586
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| Defined Atom Stereocenter Count |
2
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| SMILES |
CC(=O)C1=CC2=C(C=C1)OC([C@H]([C@H]2NC(=O)C3=CC(=C(C=C3)F)Cl)O)(C)C
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| InChi Key |
XLIIRNOPGJTBJD-ROUUACIJSA-N
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| InChi Code |
InChI=1S/C20H19ClFNO4/c1-10(24)11-5-7-16-13(8-11)17(18(25)20(2,3)27-16)23-19(26)12-4-6-15(22)14(21)9-12/h4-9,17-18,25H,1-3H3,(H,23,26)/t17-,18-/m0/s1
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| Chemical Name |
N-((3S,4S)-6-Acetyl-3-hydroxy-2,2-dimethylchroman-4-yl)-3-chloro-4-fluorobenzamide
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| Synonyms |
SB220453; SB 220453; SB-220453
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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 (~255.22 mM)
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| Solubility (In Vivo) |
Solubility in Formulation 1: ≥ 2.5 mg/mL (6.38 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 (6.38 mM) in 10% DMSO + 90% (20% SBE-β-CD in Saline) (add these co-solvents sequentially from left to right, and one by one), suspension solution; with ultrasonication. 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 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: ≥ 2.5 mg/mL (6.38 mM) (saturation unknown) in 10% DMSO + 90% Corn Oil (add these co-solvents sequentially from left to right, and one by one), clear solution. Solubility in Formulation 4: ≥ 2.5 mg/mL (6.38 mM) (saturation unknown) in 5% DMSO + 40% PEG300 + 5% Tween80 + 50% Saline (add these co-solvents sequentially from left to right, and one by one), suspension solution. Preparation of saline: Dissolve 0.9 g of sodium chloride in 100 mL ddH₂ O to obtain a clear solution. |
| Preparing Stock Solutions | 1 mg | 5 mg | 10 mg | |
| 1 mM | 2.5522 mL | 12.7610 mL | 25.5219 mL | |
| 5 mM | 0.5104 mL | 2.5522 mL | 5.1044 mL | |
| 10 mM | 0.2552 mL | 1.2761 mL | 2.5522 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.
 Inhibition of gap junction activity controls brain metastatic outgrowth.Nature.2016 May 26;533(7604):493-498. |
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 Inhibition of Gap Junction Activity Prevents Brain Metastatic Outgrowth.Nature.2016 May 26;533(7604):493-498. |
 Gap junctions induce cytosolic dsDNA response in astrocytes.Nature.2016 May 26;533(7604):493-498. |
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