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| 5mg |
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| 10mg |
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| 25mg |
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Purity: ≥98%
Atuveciclib S-enantiomer (formerly known as BAY-1143572), the S-isomer of Atuveciclib, is novel, potent, orally bioactive and highly selective PTEFb/CDK9 inhibitor. It has an IC50 of 16 nM for CDK9/CycT1 inhibition, and it is more than 100-fold more selective for CDK9 than CDK2. Moreover, it inhibits GSK3 kinase, with IC50 values for GSK3α and GSK3β of 45 nM and 87 nM, respectively. A Phase I clinical trial is presently underway for ateciclib.
| Targets |
CDK9/CycT1 (IC50 = 16 nM)
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| ln Vitro |
Atuveciclib (BAY-1143572) S-Enantiomer has very similar in vitro properties to Atuveciclib (BAY-1143572), well within the measurement accuracy bounds; however, there is a tendency toward slightly lower antiproliferative activity against HeLa cells (IC50: 1100 nM) and slightly lower activity against CDK9 in the biochemical assay (IC50 CDK9/CycT1: 16 nM) with multiple batches of Atuveciclib (BAY-1143572) S-Enantiomer [1].
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| ln Vivo |
Atuveciclib (BAY-1143572) S-Enantiomer shows approximately one blood to plasma ratio. The rat PK properties of Atuveciclib (BAY-1143572) S-Enantiomer are very similar to those of Atuveciclib (BAY-1143572) (CLb: 1.2 L/kg per hour, Vss: 1.2 L/kg, t1/2: 0.6 h, F: 53%)[1].
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| Enzyme Assay |
Atuveciclib (formerly known as BAY-1143572) is novel, potent, oral and highly selective PTEFb/CDK9 inhibitor.It inhibits CDK9/CycT1 with an IC50 of 13 nM and is more than 100-fold more selective for CDK9 over CDK2. Moreover, it inhibits GSK3 kinase, with IC50 values for GSK3α and GSK3β of 45 nM and 87 nM, respectively.
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| Cell Assay |
BAY 1143572 exhibits antiproliferative activity against MOLM-13 cells (IC50 = 310 nM) and HeLa cells (IC50 = 920 nM). Additionally, compared to lead compound BAY-958 (PappA→B: 22 nm/s, ER: 15), it exhibits better Caco-2 permeability and a lower efflux ratio (PappA→B: 35 nm/s, ER: 6).
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| Animal Protocol |
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| References |
| Molecular Formula |
C18H18FN5O2S
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| Molecular Weight |
387.43
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| Exact Mass |
387.11652417
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| Related CAS # |
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| Appearance |
Solid
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| InChi Key |
ACWKGTGIJRCOOM-MHZLTWQESA-N
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| InChi Code |
InChI=1S/C18H18FN5O2S/c1-26-16-9-13(19)6-7-15(16)17-21-11-22-18(24-17)23-14-5-3-4-12(8-14)10-27(2,20)25/h3-9,11,20H,10H2,1-2H3,(H,21,22,23,24)/t27-/m0/s1
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| Chemical Name |
4-(4-fluoro-2-methoxyphenyl)-N-[3-[(methylsulfonimidoyl)methyl]phenyl]-1,3,5-triazin-2-amine
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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) |
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 | 2.5811 mL | 12.9056 mL | 25.8111 mL | |
| 5 mM | 0.5162 mL | 2.5811 mL | 5.1622 mL | |
| 10 mM | 0.2581 mL | 1.2906 mL | 2.5811 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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