| Size | Price | Stock | Qty |
|---|---|---|---|
| 5mg |
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| 10mg |
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| Other Sizes |
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| ln Vitro |
When tested against the MDA-MB-231 cell line, DS18561882 (0-150 nM) yields the lowest GI50 value (140 nM)[1].
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|---|---|
| ln Vivo |
Oral treatment of DS18561882, at doses of 30, 100, or 300 mg/kg, twice daily, suppresses tumor growth inhibition in a dosage-dependent way. In mice, the dose of 300 mg/kg totally inhibits the tumor (TGI: 67%). With oral administration of 10, 30, 100, or 300 mg/kg, DS18561882, as well as its ACU (64.6, 264, 726 μg.h/ml), Cmax (11.4, 56.5, 90.1 μg /ml), and t1/2 (2.21, 2.16, 2.32 hours) for 30 mg/kg, 100 mg/kg, and 200 mg/kg, respectively, exhibit an excellent oral pharmacokinetic profile[1]. In this article[1], DS18561882, is suspended in a 0.5% (w/v) methyl cellulose 400 solution.
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| Animal Protocol |
Animal/Disease Models: Five week old female BALB/cAJcl-nu/nu (nude) mice with MDA-MB-231 luc tumor cells (4 × 106 cells/mouse)[1]
Doses: 30, 100 or 300 mg/kg Route of Administration: Oral administration; 30, 100 or 300 mg/kg; twice (two times) daily; until day 11 Experimental Results: Suppressed tumor growth in a dose-dependent manner. |
| References |
| Molecular Formula |
C28H31F3N4O6S
|
|---|---|
| Molecular Weight |
608.629156351089
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| Exact Mass |
608.191
|
| CAS # |
2227149-22-4
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| Related CAS # |
2227149-22-4;
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| PubChem CID |
139486677
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| Appearance |
White to yellow solid powder
|
| LogP |
3.3
|
| Hydrogen Bond Donor Count |
1
|
| Hydrogen Bond Acceptor Count |
12
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| Rotatable Bond Count |
5
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| Heavy Atom Count |
42
|
| Complexity |
1190
|
| Defined Atom Stereocenter Count |
1
|
| SMILES |
S(C)(NC1C=CC(=CC=1OC(F)(F)F)C(N1CC2C(=O)OC3C(=CC=C(C=3C)N3CCN(C)[C@@H](C)C3)C=2CC1)=O)(=O)=O
|
| InChi Key |
OQKAKSSZSQPTDZ-INIZCTEOSA-N
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| InChi Code |
InChI=1S/C28H31F3N4O6S/c1-16-14-34(12-11-33(16)3)23-8-6-20-19-9-10-35(15-21(19)27(37)40-25(20)17(23)2)26(36)18-5-7-22(32-42(4,38)39)24(13-18)41-28(29,30)31/h5-8,13,16,32H,9-12,14-15H2,1-4H3/t16-/m0/s1
|
| Chemical Name |
N-[4-[8-[(3S)-3,4-dimethylpiperazin-1-yl]-7-methyl-5-oxo-2,4-dihydro-1H-chromeno[3,4-c]pyridine-3-carbonyl]-2-(trifluoromethoxy)phenyl]methanesulfonamide
|
| 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: Please store this product in a sealed and protected environment (e.g. under nitrogen), avoid exposure to moisture. |
| 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 : ~150 mg/mL (~246.46 mM)
|
|---|---|
| Solubility (In Vivo) |
Solubility in Formulation 1: ≥ 7.5 mg/mL (12.32 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 75.0 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: ≥ 7.5 mg/mL (12.32 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 75.0 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: ≥ 2.08 mg/mL (3.42 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: 20 mg/mL (32.86 mM) in 0.5% CMC-Na/saline water (add these co-solvents sequentially from left to right, and one by one), suspension solution; with ultrasonication. 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 | 1.6430 mL | 8.2152 mL | 16.4303 mL | |
| 5 mM | 0.3286 mL | 1.6430 mL | 3.2861 mL | |
| 10 mM | 0.1643 mL | 0.8215 mL | 1.6430 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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