| Size | Price | Stock | Qty |
|---|---|---|---|
| 5mg |
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| 10mg |
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| Other Sizes |
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| ln Vitro |
At low micromolar doses, VAS3947 reliably suppresses NADPH oxidase activity and does not affect with ROS detection, XOD, or eNOS activity. The xanthine/XOD-derived L012 signal was not affected by VAS3947 (30 µM), suggesting that this chemical lacks any antioxidant or scavenging properties that are pertinent to ROS detection. With an IC50 of 12 µM, VAS3947 totally inhibits NADPH-dependent ROS production in CaCo-2 cell homogenates[1]. VAS3947, without regard to anti-NOX activity, initiates cell proliferation arrest and death. The most sensitive cell line, MV-4-11, has an IC50 value of 2.6 ± 0.6 µM, whereas the least sensitive cell line, THP-1, has an IC50 value of 4.9 µM [2]. ROS levels are decreased with VAS3947. Endoplasmic reticulum (ER) stress and the ensuing unfolded protein response (UPR) are initiated by VAS3947 [2]. By acting downstream of PKC3, VAS3947 inhibits platelet activation and thrombosis via a NOX-independent mechanism.
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|---|---|
| ln Vivo |
Matching of NADPH oxidase
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| References |
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| Molecular Formula |
C14H10N6OS
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|---|---|
| Molecular Weight |
310.335
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| Exact Mass |
310.063
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| Elemental Analysis |
C, 54.18; H, 3.25; N, 27.08; O, 5.16; S, 10.33
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| CAS # |
869853-70-3
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| PubChem CID |
7471335
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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 |
577.8±60.0 °C at 760 mmHg
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| Flash Point |
303.3±32.9 °C
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| Vapour Pressure |
0.0±1.5 mmHg at 25°C
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| Index of Refraction |
1.801
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| LogP |
1.96
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| Hydrogen Bond Donor Count |
0
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| Hydrogen Bond Acceptor Count |
7
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| Rotatable Bond Count |
4
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| Heavy Atom Count |
22
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| Complexity |
369
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| Defined Atom Stereocenter Count |
0
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| SMILES |
S(C1=NC=CO1)C1=C2C(=NC=N1)N(CC1C=CC=CC=1)N=N2
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| InChi Key |
JVZDLDFNSCFLPM-UHFFFAOYSA-N
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| InChi Code |
InChI=1S/C14H10N6OS/c1-2-4-10(5-3-1)8-20-12-11(18-19-20)13(17-9-16-12)22-14-15-6-7-21-14/h1-7,9H,8H2
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| Chemical Name |
2-(3-benzyltriazolo[4,5-d]pyrimidin-7-yl)sulfanyl-1,3-oxazole
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| Synonyms |
VAS3947; VA S3947; VA-S3947
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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 (~322.24 mM)
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|---|---|
| Solubility (In Vivo) |
Solubility in Formulation 1: ≥ 2.5 mg/mL (8.06 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 (8.06 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 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 (8.06 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 | 3.2223 mL | 16.1114 mL | 32.2227 mL | |
| 5 mM | 0.6445 mL | 3.2223 mL | 6.4445 mL | |
| 10 mM | 0.3222 mL | 1.6111 mL | 3.2223 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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