| Size | Price | Stock | Qty |
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| 5mg |
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| 10mg |
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| 50mg |
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| 250mg | |||
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| Targets |
CCT-271850 targets the spindle checkpoint kinase Mps1 (TTK). Mps1 is a key regulator of the spindle assembly checkpoint, which ensures proper chromosome segregation during mitosis. By inhibiting Mps1, CCT-271850 disrupts the checkpoint, leading to chromosomal instability and cell death. It also inhibits JNK1 and JNK2, which are stress-activated protein kinases involved in various cellular processes.
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| ln Vitro |
In vitro, CCT-271850 is a potent inhibitor of Mps1 with an IC50 of 20 nM. It inhibits the growth of several cancer cell lines, including SW620 (GI50 = 0.065 μM), CAL51 (GI50 = 0.068 μM), Miapaca-2 (GI50 = 0.25 μM), and RMG1 (GI50 = 0.110 μM). It also inhibits HCT116 cells with a GI50 of 0.16 μM. Its activity against JNK1 and JNK2 suggests it may have broader effects on cellular signaling.
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| ln Vivo |
In vivo, CCT-271850 is orally bioavailable and has shown activity in preclinical models. It has been shown to sensitize MSI+ colon cancer and basal breast cancer cell lines to cell death. Its ability to be administered orally and its potent antitumor activity make it a promising candidate for further development as an anticancer agent.
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| Enzyme Assay |
The in vitro activity of CCT-271850 against Mps1 is determined using cell-free kinase assays. The Mps1 enzyme is incubated with a substrate and ATP in the presence or absence of the compound. The phosphorylation of the substrate is then measured, and the IC50 is calculated. This assay provides a direct measure of the compound's potency against its primary target.
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| Cell Assay |
The in vitro cellular activity of CCT-271850 is assessed in cell proliferation assays. Cancer cell lines are seeded in multi-well plates and treated with increasing concentrations of the compound. Cell viability is measured after a set period, and the GI50 is calculated. For apoptosis studies, cells are treated with the compound, and apoptosis is quantified using flow cytometry.
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| Animal Protocol |
The in vivo efficacy of CCT-271850 is evaluated in xenograft mouse models. Human tumor cells are implanted into immunodeficient mice. When tumors reach a certain size, the animals are treated with CCT-271850 via oral gavage. Tumor growth is monitored by caliper measurements. The compound's ability to inhibit tumor growth and sensitize tumors to other therapies is assessed.
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| ADME/Pharmacokinetics |
Dosing in animal models is typically oral, as CCT-271850 is orally bioavailable. The compound is formulated in a suitable vehicle for oral administration. Pharmacokinetic studies would measure its absorption, distribution, metabolism, and excretion to optimize dosing regimens.
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| Toxicity/Toxicokinetics |
The safety and toxicity of CCT-271850 would be assessed in standard preclinical toxicology studies. As an inhibitor of the spindle assembly checkpoint, its toxicity profile is related to its effect on mitosis in rapidly dividing cells. Its activity against JNK1 and JNK2 could also contribute to its toxicity profile. These studies are essential for determining its therapeutic index.
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| References | |
| Additional Infomation |
CCT-271850 is a potent and orally bioavailable inhibitor of Mps1/TTK with an IC50 of 20 nM. It also inhibits JNK1 and JNK2. It has shown potent antiproliferative activity against a range of cancer cell lines and has been shown to sensitize MSI+ colon cancer and basal breast cancer cell lines to cell death. It is a research compound being investigated for its potential as an anticancer agent, but it is not an approved drug.
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| Molecular Formula |
C24H29N7O
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|---|---|
| Molecular Weight |
431.54
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| Exact Mass |
431.243
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| CAS # |
1578244-34-4
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| PubChem CID |
73386882
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| Appearance |
White to yellow solid powder
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| Density |
1.2±0.1 g/cm3
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| Boiling Point |
641.2±65.0 °C at 760 mmHg
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| Flash Point |
341.6±34.3 °C
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| Vapour Pressure |
0.0±1.9 mmHg at 25°C
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| Index of Refraction |
1.639
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| LogP |
3.63
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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 |
7
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| Heavy Atom Count |
32
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| Complexity |
599
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| Defined Atom Stereocenter Count |
1
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| SMILES |
C[C@@H](C(C)(C)C)NC1=NC=CC2=CN=C(N=C21)NC3=C(C=C(C=C3)C4=CN(N=C4)C)OC
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| InChi Key |
XTJZKALDRPVFSN-HNNXBMFYSA-N
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| InChi Code |
InChI=1S/C24H29N7O/c1-15(24(2,3)4)28-22-21-17(9-10-25-22)12-26-23(30-21)29-19-8-7-16(11-20(19)32-6)18-13-27-31(5)14-18/h7-15H,1-6H3,(H,25,28)(H,26,29,30)/t15-/m0/s1
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| Chemical Name |
8-N-[(2S)-3,3-dimethylbutan-2-yl]-2-N-[2-methoxy-4-(1-methylpyrazol-4-yl)phenyl]pyrido[3,4-d]pyrimidine-2,8-diamine
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| Synonyms |
CCT271850; CCT 271850; CCT-271850
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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 : ~25 mg/mL (~57.93 mM)
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|---|---|
| Solubility (In Vivo) |
Note: Listed below are some common formulations that may be used to formulate products with low water solubility (e.g. < 1 mg/mL), you may test these formulations using a minute amount of products to avoid loss of samples.
Injection Formulations
Injection Formulation 1: DMSO : Tween 80： Saline = 10 : 5 : 85 (i.e. 100 μL DMSO stock solution → 50 μL Tween 80 → 850 μL Saline)(e.g. IP/IV/IM/SC) *Preparation of saline: Dissolve 0.9 g of sodium chloride in 100 mL ddH ₂ O to obtain a clear solution. Injection Formulation 2: DMSO : PEG300 ：Tween 80 : Saline = 10 : 40 : 5 : 45 (i.e. 100 μL DMSO → 400 μLPEG300 → 50 μL Tween 80 → 450 μL Saline) Injection Formulation 3: DMSO : Corn oil = 10 : 90 (i.e. 100 μL DMSO → 900 μL Corn oil) Example: Take the Injection Formulation 3 (DMSO : Corn oil = 10 : 90) as an example, if 1 mL of 2.5 mg/mL working solution is to be prepared, you can take 100 μL 25 mg/mL DMSO stock solution and add to 900 μL corn oil, mix well to obtain a clear or suspension solution (2.5 mg/mL, ready for use in animals). View More
Injection Formulation 4: DMSO : 20% SBE-β-CD in saline = 10 : 90 [i.e. 100 μL DMSO → 900 μL (20% SBE-β-CD in saline)] Oral Formulations
Oral Formulation 1: Suspend in 0.5% CMC Na (carboxymethylcellulose sodium) Oral Formulation 2: Suspend in 0.5% Carboxymethyl cellulose Example: Take the Oral Formulation 1 (Suspend in 0.5% CMC Na) as an example, if 100 mL of 2.5 mg/mL working solution is to be prepared, you can first prepare 0.5% CMC Na solution by measuring 0.5 g CMC Na and dissolve it in 100 mL ddH2O to obtain a clear solution; then add 250 mg of the product to 100 mL 0.5% CMC Na solution, to make the suspension solution (2.5 mg/mL, ready for use in animals). View More
Oral Formulation 3: Dissolved in PEG400 (Please use freshly prepared in vivo formulations for optimal results.) |
| Preparing Stock Solutions | 1 mg | 5 mg | 10 mg | |
| 1 mM | 2.3173 mL | 11.5864 mL | 23.1728 mL | |
| 5 mM | 0.4635 mL | 2.3173 mL | 4.6346 mL | |
| 10 mM | 0.2317 mL | 1.1586 mL | 2.3173 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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