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Purity: ≥98%
CC-115 (CC115) is a novel and potent dual inhibitor of DNA-PK (DNA-dependent protein kinase) and mTOR (mammalian target of rapamycin) with IC50s of 13 nM and 21 nM, respectively and with potential antineoplastic activity. It was reported that CC-115 could reverse CD40-mediated resistance to venetoclax and fludarabine as well as totally block the proliferation brought on by CD40(+) interleukin-21 stimulation. Furthermore, CC-115 and CLL samples from patients who developed resistance to idelalisib treatment inhibited BCR-mediated signaling.
| Targets |
DNA-PK ( IC50 = 13 nM ); mTOR ( IC50 = 21 nM ); PI3Kα ( IC50 = 852 nM ); mTORC1; mTORC2
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| ln Vivo |
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| Enzyme Assay |
For mTOR kinase, an HTR-FRET substrate phosphorylation assay is used. The mobility shift assay format is used to outsource PI3Kα IC50 determinations. Compounds (like CC-115) are evaluated in relation to ATP concentrations at roughly the assay Km, with average ATP Kms for the mTOR and PI3K assays being 15 μM and 50 μM, respectively[1].
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| Cell Assay |
In growth media, PC-3 cells are cultivated. MesoScale technology is used to assay pS6 and pAkt levels in cells after a one-hour treatment for biomarker studies. Cells treated with a compound (CC-115, for example) are left to grow for 72 hours in order to conduct proliferation experiments. The percentage of the DMSO-treated cells is shown for each normalized set of data. The IC50 values of the results are then presented[1].
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| Animal Protocol |
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| References | ||
| Additional Infomation |
CC-115 has been used in trials studying the treatment of Prostate Cancer, Neoplasm Metastasis, Ewing's Osteosarcoma, Glioblastoma Multiforme, and Chronic Lymphocytic Leukemia, among others.
DNA-PK/TOR Kinase Inhibitor CC-115 is a dual inhibitor of DNA-dependent protein kinase (DNA-PK) and mammalian target of rapamycin (mTOR), with potential antineoplastic activity. CC-115 binds to and inhibits the activity of DNA-PK and both raptor-mTOR (TOR complex 1 or TORC1) and rictor-mTOR (TOR complex 2 or TORC2), which may lead to a reduction in cellular proliferation of cancer cells expressing DNA-PK and TOR. DNA-PK, a serine/threonine kinase and a member of the PI3K-related kinase subfamily of protein kinases, is activated upon DNA damage and plays a key role in repairing double-stranded DNA breaks via the DNA nonhomologous end joining (NHEJ) pathway; mTOR, a serine/threonine kinase that is upregulated in a variety of tumors, plays an important role downstream in the PI3K/Akt/mTOR signaling pathway. |
| Molecular Formula |
C16H16N8O
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| Molecular Weight |
336.35
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| Exact Mass |
336.145
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| Elemental Analysis |
C, 57.13; H, 4.79; N, 33.31; O, 4.76
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| CAS # |
1228013-15-7
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| Related CAS # |
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| PubChem CID |
58298318
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| Appearance |
Red Solid powder
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| LogP |
1.613
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| Hydrogen Bond Donor Count |
2
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| Hydrogen Bond Acceptor Count |
7
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| Rotatable Bond Count |
3
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| Heavy Atom Count |
25
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| Complexity |
491
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| Defined Atom Stereocenter Count |
0
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| SMILES |
O=C1C([H])([H])N([H])C2C(=NC(=C([H])N=2)C2C([H])=C([H])C(C3=NC([H])=NN3[H])=NC=2C([H])([H])[H])N1C([H])([H])C([H])([H])[H]
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| InChi Key |
GMYLVKUGJMYTFB-UHFFFAOYSA-N
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| InChi Code |
InChI=1S/C16H16N8O/c1-3-24-13(25)7-18-15-16(24)22-12(6-17-15)10-4-5-11(21-9(10)2)14-19-8-20-23-14/h4-6,8H,3,7H2,1-2H3,(H,17,18)(H,19,20,23)
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| Chemical Name |
5-ethyl-3-[2-methyl-6-(1H-1,2,4-triazol-5-yl)pyridin-3-yl]-7,8-dihydropyrazino[2,3-b]pyrazin-6-one
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| Synonyms |
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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 |
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| 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) |
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| Solubility (In Vivo) |
Solubility in Formulation 1: ≥ 2 mg/mL (5.95 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 20.0 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 mg/mL (5.95 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 20.0 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. (Please use freshly prepared in vivo formulations for optimal results.) |
| Preparing Stock Solutions | 1 mg | 5 mg | 10 mg | |
| 1 mM | 2.9731 mL | 14.8655 mL | 29.7309 mL | |
| 5 mM | 0.5946 mL | 2.9731 mL | 5.9462 mL | |
| 10 mM | 0.2973 mL | 1.4865 mL | 2.9731 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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