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Purity: ≥98%
A939572 (A-939572) is is a novel, potent and orally bioavailable inhibitor of stearoyl-CoA desaturase1 (SCD1) with anticancer activity. It inhibits SCD1 with IC50s of<4 nM and 37 nM for mSCD1 and hSCD1, respectively. Stearoyl-CoA desaturase 1 is a novel molecular therapeutic target for clear cell renal cell carcinoma.
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| ln Vitro |
Decrease in desaturation index in a dose-dependent manner is one of the strong in vivo activities of A939572 [1]. SCD1 enzymatic activity is selectively inhibited by a tiny chemical called A939572. On day 5, A939572 showed a statistically significant dose-dependent reduction in the proliferation of Caki1, A498, Caki2, and ACHN (IC50 of 65 nM, 50 nM, 65 nM, and 6 nM, respectively). Compared to the DMSO+BSA control, all five endoplasmic reticulum stress-related gene expression levels were significantly higher in A939572 (SCDi)-treated Caki1 and A498 cells. This enhanced expression could be prevented by adding OA-BSA.
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| ln Vivo |
Tumor volumes (mm3) were measured after 4 weeks of treatment with A939572 (30 mg/kg, po) and Tem, either separately or in combination, in athymic nude mice (nu/nu) bearing A498 ccRCC xenografts. Similar growth responses were seen with A939572 and Tem monotherapy; at study's end, a 20–30% decrease in tumor volume was seen (in comparison to the placebo control); however, data did not approach statistical significance until the last week of treatment. When the research came to an end, the combination treatment group's tumor volume had decreased by over 60% (in comparison to the placebo control group), with notable reductions observed after around a week of therapy [2].
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| Cell Assay |
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| References |
| Molecular Formula |
C20H22CLN3O3
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| Molecular Weight |
387.8600
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| Exact Mass |
387.135
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| Elemental Analysis |
C, 61.93; H, 5.72; Cl, 9.14; N, 10.83; O, 12.37
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| CAS # |
1032229-33-6
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| PubChem CID |
24905400
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| Appearance |
White to off-white solid powder
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| Density |
1.302 g/cm3
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| Boiling Point |
633.5ºC at 760 mmHg
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| Flash Point |
336.9ºC
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| LogP |
4.176
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| Hydrogen Bond Donor Count |
2
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| Hydrogen Bond Acceptor Count |
3
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| Rotatable Bond Count |
4
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| Heavy Atom Count |
27
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| Complexity |
511
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| Defined Atom Stereocenter Count |
0
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| SMILES |
ClC1=C([H])C([H])=C([H])C([H])=C1OC1([H])C([H])([H])C([H])([H])N(C(N([H])C2=C([H])C([H])=C([H])C(C(N([H])C([H])([H])[H])=O)=C2[H])=O)C([H])([H])C1([H])[H]
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| InChi Key |
DPYTYQFYDLYWHZ-UHFFFAOYSA-N
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| InChi Code |
InChI=1S/C20H22ClN3O3/c1-22-19(25)14-5-4-6-15(13-14)23-20(26)24-11-9-16(10-12-24)27-18-8-3-2-7-17(18)21/h2-8,13,16H,9-12H2,1H3,(H,22,25)(H,23,26)
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| Chemical Name |
4-(2-chlorophenoxy)-N-[3-(methylcarbamoyl)phenyl]piperidine-1-carboxamide
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| Synonyms |
A939572; A-939572; A 939572; SCD1 Inhibitor; Stearoyl-CoA Desaturase 1 Inhibitor;
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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 (~257.82 mM)
H2O : < 0.1 mg/mL |
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| Solubility (In Vivo) |
Solubility in Formulation 1: ≥ 2.5 mg/mL (6.45 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 (6.45 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 (6.45 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 | 2.5782 mL | 12.8912 mL | 25.7825 mL | |
| 5 mM | 0.5157 mL | 2.5782 mL | 5.1565 mL | |
| 10 mM | 0.2578 mL | 1.2891 mL | 2.5782 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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