NVP-TNKS656TNKS2 inhibitor CAS# 1419949-20-4 |
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Quality Control & MSDS
Number of papers citing our products
Chemical structure
3D structure
| Cas No. | 1419949-20-4 | SDF | Download SDF |
| PubChem ID | 71227201 | Appearance | Powder |
| Formula | C27H34N4O5 | M.Wt | 494.58 |
| Type of Compound | N/A | Storage | Desiccate at -20°C |
| Synonyms | TNKS656 | ||
| Solubility | DMSO : ≥ 40 mg/mL (80.88 mM) *"≥" means soluble, but saturation unknown. | ||
| Chemical Name | N-(cyclopropylmethyl)-2-[4-(4-methoxybenzoyl)piperidin-1-yl]-N-[(4-oxo-1,5,7,8-tetrahydropyrano[4,3-d]pyrimidin-2-yl)methyl]acetamide | ||
| SMILES | COC1=CC=C(C=C1)C(=O)C2CCN(CC2)CC(=O)N(CC3CC3)CC4=NC(=O)C5=C(N4)CCOC5 | ||
| Standard InChIKey | DYGBNAYFDZEYBA-UHFFFAOYSA-N | ||
| Standard InChI | InChI=1S/C27H34N4O5/c1-35-21-6-4-19(5-7-21)26(33)20-8-11-30(12-9-20)16-25(32)31(14-18-2-3-18)15-24-28-23-10-13-36-17-22(23)27(34)29-24/h4-7,18,20H,2-3,8-17H2,1H3,(H,28,29,34) | ||
| General tips | For obtaining a higher solubility , please warm the tube at 37 ℃ and shake it in the ultrasonic bath for a while.Stock solution can be stored below -20℃ for several months. We recommend that you prepare and use the solution on the same day. However, if the test schedule requires, the stock solutions can be prepared in advance, and the stock solution must be sealed and stored below -20℃. In general, the stock solution can be kept for several months. Before use, we recommend that you leave the vial at room temperature for at least an hour before opening it. |
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| About Packaging | 1. The packaging of the product may be reversed during transportation, cause the high purity compounds to adhere to the neck or cap of the vial.Take the vail out of its packaging and shake gently until the compounds fall to the bottom of the vial. 2. For liquid products, please centrifuge at 500xg to gather the liquid to the bottom of the vial. 3. Try to avoid loss or contamination during the experiment. |
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| Shipping Condition | Packaging according to customer requirements(5mg, 10mg, 20mg and more). Ship via FedEx, DHL, UPS, EMS or other couriers with RT, or blue ice upon request. | ||
| Description | NVP-TNKS656 is a highly potent, selective, and orally active TNKS2 inhibitor with IC50 of 6 nM, and is > 300 fold selectivity against PARP1 and PARP2.In Vivo:NVP-TNKS656 (30 or 100 mg/kg, p.o.) exhibits good exposure and moderate oral bioavailability of 32% and 53%, respectively. Some slight overproportional increase in oral exposure is observed between 30 and 100 mg/kg with the dose normalized AUC for the 100 mg/kg dose being 2-fold higher than for the 30 mg/kg dose. Mice treated with NVP-TNKS656 (350 mg/kg, p.o.) show good plasma and tumor exposures corresponding to AUC0-24h of 515 and 325 μM·h, respectively[1]. References: | |||||
NVP-TNKS656 Dilution Calculator
NVP-TNKS656 Molarity Calculator
| 1 mg | 5 mg | 10 mg | 20 mg | 25 mg | |
| 1 mM | 2.0219 mL | 10.1096 mL | 20.2192 mL | 40.4384 mL | 50.5479 mL |
| 5 mM | 0.4044 mL | 2.0219 mL | 4.0438 mL | 8.0877 mL | 10.1096 mL |
| 10 mM | 0.2022 mL | 1.011 mL | 2.0219 mL | 4.0438 mL | 5.0548 mL |
| 50 mM | 0.0404 mL | 0.2022 mL | 0.4044 mL | 0.8088 mL | 1.011 mL |
| 100 mM | 0.0202 mL | 0.1011 mL | 0.2022 mL | 0.4044 mL | 0.5055 mL |
| * Note: If you are in the process of experiment, it's necessary to make the dilution ratios of the samples. The dilution data above is only for reference. Normally, it's can get a better solubility within lower of Concentrations. | |||||
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NVP-TNKS656 has been identified as an orally active antagonist of Wnt pathway activity. The Wnt pathway has been involved in controlling numerous developmental processes. Deregulation of this pathway may result in carcinogenesis [1].
In vitro: The IC50 value of NVP-TNKS656 against TNKS2, PARP1, PARP2, and STF was 0.006, > 19, 32, and 0.0035 ?M, respectively [1].
In vivo: After intravenous administration in mice, the clearance and volume of distribution of NVP-TNKS656 were 10 mL/min/kg and 0.6 L/kg, respectively. The exposure and oral bioavailability was 32% and 53%, respectively. In the mouse mammary tumor virus (MMTV)-Wnt1 transgenic model, NVP-TNKS656 could activate the Wnt signaling after oral administration of NVP-TNKS656 at a dose of 350 mg/kg over a 24-h time course. NVP-TNKS656 treated tumors exhibited 70?80% reduction in the Wnt/beta-catenin target gene Axin2 mRNA level [1].
Reference:
Shultz M D, Cheung A K, Kirby C A, et al. Identification of NVP-TNKS656: the use of structure-efficiency relationships to generate a highly potent, selective, and orally active tankyrase inhibitor[J]. Journal of medicinal chemistry, 2013, 56(16): 6495-6511.
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Identification of NVP-TNKS656: the use of structure-efficiency relationships to generate a highly potent, selective, and orally active tankyrase inhibitor.[Pubmed:23844574]
J Med Chem. 2013 Aug 22;56(16):6495-511.
Tankyrase 1 and 2 have been shown to be redundant, druggable nodes in the Wnt pathway. As such, there has been intense interest in developing agents suitable for modulating the Wnt pathway in vivo by targeting this enzyme pair. By utilizing a combination of structure-based design and LipE-based structure efficiency relationships, the core of XAV939 was optimized into a more stable, more efficient, but less potent dihydropyran motif 7. This core was combined with elements of screening hits 2, 19, and 33 and resulted in highly potent, selective tankyrase inhibitors that are novel three pocket binders. NVP-TNKS656 (43) was identified as an orally active antagonist of Wnt pathway activity in the MMTV-Wnt1 mouse xenograft model. With an enthalpy-driven thermodynamic signature of binding, highly favorable physicochemical properties, and high lipophilic efficiency, NVP-TNKS656 is a novel tankyrase inhibitor that is well suited for further in vivo validation studies.
