Introduction：Basic information about CAS 1032229-33-6|A939572, including its chemical name, molecular formula, synonyms, physicochemical properties, and safety information, etc.
| Common Name | A939572 |
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| CAS Number | 1032229-33-6 | Molecular Weight | 387.86000 |
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| Density | 1.302 g/cm3 | Boiling Point | 633.5ºC at 760 mmHg |
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| Molecular Formula | C20H22ClN3O3 | Melting Point | / |
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| MSDS | / | Flash Point | 336.9ºC |
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Names
| Name | 4-(2-chlorophenoxy)-N-[3-(methylcarbamoyl)phenyl]piperidine-1-carboxamide |
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| Synonym | More Synonyms |
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A939572 BiologicalActivity
| Description | A939572 is a potent, and orally bioavailable SCD1 inhibitor with IC50 values of <4 nM and 37 nM for mSCD1 and hSCD1, respectively. |
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| Related Catalog | Signaling Pathways >>Metabolic Enzyme/Protease >>Stearoyl-CoA Desaturase (SCD)Research Areas >>Cancer |
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| Target | IC50: <4 nM (mSCD1), 37 nM (hSCD1)[1] |
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| In Vitro | A939572 exhibits robust in vivo activity with dose-dependent desaturation index lowering effects[1].A939572 is a small molecule that specifically inhibits SCD1 enzymatic activity. A939572 demonstrates a significant dose-dependent decrease in proliferation in Caki1, A498, Caki2, and ACHN at day 5 (IC50s of 65 nM, 50 nM, 65 nM, and 6 nM, respectively). In A939572 (SCDi) treated Caki1 and A498 cells, all five ER stress related genes are expressed at significantly increased levels compared to DMSO+BSA control, and this elevated expression can be blocked with the addition of OA-BSA[2]. |
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| In Vivo | Athymic nude (nu/nu) mice bearing A498 ccRCC xenografts are treated with A939572 (30mg/kg, p.o.) and Tem individually or in combination over the course of four weeks, and tumor volume (mm3) is recorded. A939572 and Tem monotherapy generate similar growth responses with approximately 20-30% reductions in tumor volume (vs. placebo control) being observed upon study completion, with values reaching statistical significance only within the last week of treatment. The combination group yields over a 60% decrease in tumor volume (vs. placebo control) by study completion with significant reductions recorded after approximately 1 week of treatment[2]. |
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| Cell Assay | Cells are plated (0.5 or 1×105/well) in 24-well plates in triplicate. Cells are counted using a Coulter Particle Counter. Oleic acid-albumin is added to media at 5μMol. A939572 stocks are prepared in DMSO. Temsirolimus dosing is performed. Soft agar cultures are prepared by diluting 2× growth medium 1:1 in 1.5% Seaplaque®GTG® agarose, with 500 cells/plate in 60mm culture dishes. Colonies are stained with Giemsa and counted after 3wks[2]. |
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| Animal Admin | Mice[2] A498 cells are subcutaneously implanted in athymic nu/nu mice at 1×106 cells/mouse in 50% Matrigel. Tumors reach ~50 mm3 prior to 4 wk treatment. A939572 is re-suspended in strawberry flavored Kool-Aid® in sterilized H2O (0.2 g/mL) vehicle at 30 mg/kg in a 50 μL dose. Mice are orally fed by using a syringe to administer the 50 μL dose twice daily/mouse. This modified method is found to be effective and less stressful on the mice. Temsirolimus is solubilized in 30% ethanol/saline and administered via intraperitoneal injection at 10 mg/kg in a 50 μL dose once every 72 hrs/mouse. Tumor volumes are calculated using the formula 0.5236 (L*W*H) and body weight are measured every 3 days. |
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| References | [1]. Xin Z, et al. Discovery of piperidine-aryl urea-based stearoyl-CoA desaturase 1 inhibitors. Bioorg Med Chem Lett. 2008 Aug 1;18(15):4298-302. [2]. von Roemeling CA, et al. Stearoyl-CoA desaturase 1 is a novel molecular therapeutic target for clear cell renal cell carcinoma. Clin Cancer Res. 2013 May 1;19(9):2368-80. |
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Chemical & Physical Properties
| Density | 1.302 g/cm3 |
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| Boiling Point | 633.5ºC at 760 mmHg |
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| Molecular Formula | C20H22ClN3O3 |
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| Molecular Weight | 387.86000 |
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| Flash Point | 336.9ºC |
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| Exact Mass | 387.13500 |
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| PSA | 70.67000 |
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| LogP | 4.17670 |
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| InChIKey | DPYTYQFYDLYWHZ-UHFFFAOYSA-N |
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| SMILES | CNC(=O)c1cccc(NC(=O)N2CCC(Oc3ccccc3Cl)CC2)c1 |
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| Storage condition | 2-8℃ |
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Safety Information
Customs
| HS Code | 2933399090 |
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| Summary | 2933399090. other compounds containing an unfused pyridine ring (whether or not hydrogenated) in the structure. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0% |
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Synonyms
| (4-(2-chlorophenoxy)-N-(3-(methylcarbamoyl)-phenyl)piperidine-1-carboxamide) |
| 4-(2-chlorophenoxy)-N-{3-[(methylamino)carbonyl]phenyl}piperidine-1-carboxamide |
| 4-(2-Chlorophenoxy)-N-[3-[(methylamino)carbonyl]phenyl]-1-piperidinecarboxamide |
| SCD inhibitor |
| A939572 |
