| Size | Price | Stock | Qty |
|---|---|---|---|
| 100mg |
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| 500mg | |||
| 1g | |||
| Other Sizes |
| Targets |
CDK1
Avotaciclib targets cyclin-dependent kinase 1 (CDK1). CDK1 is a key regulator of the cell cycle, particularly the G2/M transition. By inhibiting CDK1, Avotaciclib induces cell cycle arrest and inhibits cell proliferation. The compound has potential antineoplastic activity and can be used for the research of locally advanced or metastatic pancreatic cancer and lung cancer. |
|---|---|
| ln Vitro |
In cell-free biochemical assays, Avotaciclib inhibits CDK1 kinase activity. The compound's inhibition of CDK1 can be assessed using in vitro kinase assays with purified CDK1 and its substrates. The compound's selectivity for CDK1 over other CDKs can be assessed using kinase profiling assays. The compound is a potent and orally active CDK1 inhibitor.
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| ln Vivo |
In cell-based assays, Avotaciclib inhibits CDK1 activity, leading to cell cycle arrest and inhibition of cell proliferation. The compound's effects are evaluated in cancer cell lines, particularly pancreatic and lung cancer cells. By inhibiting CDK1, the compound induces G2/M arrest and apoptosis. The compound's anti-tumor effects are assessed in various cancer cell lines.
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| Enzyme Assay |
The cell-free assay for CDK1 inhibition involves measuring the kinase activity of purified CDK1-cyclin B complex in the presence of the compound. The assay uses a peptide substrate and ATP, and the phosphorylation of the substrate is measured using radioactivity, fluorescence, or luminescence. The IC50 is determined from dose-response curves.
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| Cell Assay |
Cell-based assays for Avotaciclib involve culturing cancer cell lines, particularly pancreatic and lung cancer cells, and treating them with the compound at concentrations ranging from 0.01 to 10 μM. Cells are incubated for 24-72 hours, and cell viability is assessed using MTT or CCK-8 assays. Cell cycle analysis is performed by flow cytometry. Apoptosis is evaluated by Annexin V staining or caspase activity assays.
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| Animal Protocol |
In animal models, Avotaciclib has been evaluated for its anti-tumor activity in models of pancreatic and lung cancer. Typical studies involve oral administration of the compound to tumor-bearing mice at doses ranging from 1-30 mg/kg. Tumor volumes are measured, and tissues are collected for analysis of CDK1 inhibition, cell cycle arrest, and apoptosis. Efficacy is assessed by tumor growth inhibition and survival延长.
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| ADME/Pharmacokinetics |
Avotaciclib exhibits favorable pharmacokinetic properties including oral bioavailability. The compound is orally active, making it suitable for oral administration. Detailed pharmacokinetic parameters including plasma half-life, clearance, and volume of distribution have been reported. The compound is typically stored in a cool, dry place.
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| Toxicity/Toxicokinetics |
Avotaciclib is a research compound and its toxicity profile is being evaluated in preclinical studies. As a CDK1 inhibitor, the compound may have effects on normal dividing cells, leading to potential toxicities such as bone marrow suppression and gastrointestinal toxicity. Standard toxicology studies in animal models are conducted to determine the safety profile, maximum tolerated dose, and target organ toxicity.
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| References | |
| Additional Infomation |
Avotaciclib is being investigated in the clinical trial NCT03579836 (evaluating the safety and efficacy of BEY1107 monotherapy in combination with gemcitabine for the treatment of pancreatic cancer patients). Avotaciclib is an orally bioavailable cyclin-dependent kinase 1 (CDK1) inhibitor with potential antitumor activity. After administration, Avotaciclib targets and binds to and inhibits CDK1 activity. This may inhibit cancer stem cell (CSC) division, leading to cell cycle arrest and inducing apoptosis. This may inhibit tumor cell proliferation. CDK1 is an ATP-dependent serine/threonine kinase that plays a crucial role in regulating cell division, cell cycle progression, and proliferation. It is frequently overexpressed in tumor cells.
Avotaciclib is an investigational compound being developed for the treatment of pancreatic and lung cancer. It is a potent and orally active CDK1 inhibitor. Clinical trials have been conducted or are planned to evaluate its safety and efficacy. The compound is not yet approved for clinical use. |
| Molecular Formula |
C13H11N7O
|
|---|---|
| Molecular Weight |
281.272740602493
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| Exact Mass |
281.102
|
| CAS # |
1983983-41-0
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| Related CAS # |
Avotaciclib trihydrochloride;1983984-01-5;Avotaciclib hydrochloride
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| PubChem CID |
137150099
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| Appearance |
Light yellow to yellow solid powder
|
| LogP |
-0.2
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| Hydrogen Bond Donor Count |
3
|
| Hydrogen Bond Acceptor Count |
8
|
| Rotatable Bond Count |
2
|
| Heavy Atom Count |
21
|
| Complexity |
345
|
| Defined Atom Stereocenter Count |
0
|
| SMILES |
OC1=CC=C(C2C=CN=C(N)N=2)N=C1C1C=CN=C(N)N=1
|
| InChi Key |
VFVAQKKPFOPZEA-UHFFFAOYSA-N
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| InChi Code |
InChI=1S/C13H11N7O/c14-12-16-5-3-8(19-12)7-1-2-10(21)11(18-7)9-4-6-17-13(15)20-9/h1-6,21H,(H2,14,16,19)(H2,15,17,20)
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| Chemical Name |
2,6-bis(2-aminopyrimidin-4-yl)pyridin-3-ol
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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) |
May dissolve in DMSO (in most cases), if not, try other solvents such as H2O, Ethanol, or DMF with a minute amount of products to avoid loss of samples
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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 | 3.5553 mL | 17.7765 mL | 35.5530 mL | |
| 5 mM | 0.7111 mL | 3.5553 mL | 7.1106 mL | |
| 10 mM | 0.3555 mL | 1.7777 mL | 3.5553 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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