| Size | Price | Stock | Qty |
|---|---|---|---|
| 1mg |
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| 5mg |
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| 10mg |
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| Other Sizes |
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| ln Vitro |
WSF1-IN-1 (compound 136) has IC50 values of >27 μM and 0.03 μM for the Hek293 WFS1 over-expressor and empty vector, respectively. The IC50 values for cell valiablity of WSF1-IN-1 (compound 136) are 0.05 μM (Colo-205 Control shRNA), >9 μM (Colo-205 WSF1 shRNA), 0.08 μM (DU4415 Control shRNA), 6.1 μM (DU4415 WSF1 shRNA), 0.26 μM (HepG2 Control shRNA), and 2.2 μM (HepG2 WSF1 shRNA), respectively[1].
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|---|---|
| ln Vivo |
In NSCLC-derived patient xenograft OD33996 nu/nu mice, WSF1-IN-1 (compound 136, 100 mpk qd, orally, 14 days) shows 106.65% tumor growth inhibition (TGI)[1].
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| References |
[1]. Lauffer, David J, et al. Preparation of pyridine compass. for the treatment of cellular proliferative disorders. US 20190322673 A1.
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| Molecular Formula |
C20H21F3N8O
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|---|---|
| Molecular Weight |
446.43
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| Exact Mass |
446.179
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| CAS # |
2379577-82-7
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| PubChem CID |
146194099
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| Appearance |
Typically exists as solid at room temperature
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| LogP |
2
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| Hydrogen Bond Donor Count |
2
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| Hydrogen Bond Acceptor Count |
10
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| Rotatable Bond Count |
5
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| Heavy Atom Count |
32
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| Complexity |
667
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| Defined Atom Stereocenter Count |
1
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| SMILES |
C[C@H]1C(=O)NC2=C(N=C(N=C2N1C)NCC3=CN(N=C3)CC4=CN=C(C=C4)C(F)(F)F)C
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| InChi Key |
KKHCZENFFDIZHM-LBPRGKRZSA-N
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| InChi Code |
InChI=1S/C20H21F3N8O/c1-11-16-17(30(3)12(2)18(32)28-16)29-19(27-11)25-7-14-8-26-31(10-14)9-13-4-5-15(24-6-13)20(21,22)23/h4-6,8,10,12H,7,9H2,1-3H3,(H,28,32)(H,25,27,29)/t12-/m0/s1
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| Chemical Name |
(7S)-4,7,8-trimethyl-2-[[1-[[6-(trifluoromethyl)pyridin-3-yl]methyl]pyrazol-4-yl]methylamino]-5,7-dihydropteridin-6-one
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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 (224.00 mM)
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|---|---|
| Solubility (In Vivo) |
Solubility in Formulation 1: ≥ 2.5 mg/mL (5.60 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 (5.60 mM) (saturation unknown) in 10% DMSO + 90% Corn Oil (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 corn oil and mix evenly. (Please use freshly prepared in vivo formulations for optimal results.) |
| Preparing Stock Solutions | 1 mg | 5 mg | 10 mg | |
| 1 mM | 2.2400 mL | 11.2000 mL | 22.3999 mL | |
| 5 mM | 0.4480 mL | 2.2400 mL | 4.4800 mL | |
| 10 mM | 0.2240 mL | 1.1200 mL | 2.2400 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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