| Size | Price | Stock | Qty |
|---|---|---|---|
| 1mg |
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| 100mg | |||
| Other Sizes |
Purity: ≥98%
| Targets |
CDK1, CDK2, CDK5, CDK7, and CDK9. BS-194 inhibits CDK2, CDK1, CDK5, CDK7, and CDK9 with IC₅₀ values of 3, 30, 30, 250, and 90 nM, respectively.
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|---|---|
| ln Vitro |
Compound 4k, also known as BS-194, has a 72-hour half-life of 100 nM to 1 μM and can suppress the growth of multiple cancer cells, including MCF-7, MDA-MB-231, MCF-10A, CPLO-205, HCT-116, A549, SaOS2, PC3, HepG2, and SK-Ov-3[1]. In the S phase and G2/M phase of HCT116 cells, BS-194 (10 μM, 24 hours) stimulates cell cycle arrest [1]. In HCT116 cells, BS-194 (10 μM, 24 hours) reduces CDK substrate phosphorylation and encourages cyclin loss [1].
In vitro, BS-194 potently inhibits CDK2 (IC₅₀=3 nM), CDK1 (IC₅₀=30 nM), CDK5 (IC₅₀=30 nM), CDK7 (IC₅₀=250 nM), and CDK9 (IC₅₀=90 nM). The compound effectively inhibits cancer cell proliferation in various cancer cell lines. It is orally active and shows selectivity for CDKs over other kinases. |
| ln Vivo |
In MCF-7 tumor xenografts, BS-194 (Compound 4K, intraperitoneally administered, 5 or 10 mg/kg twice daily for 14 days) reduces tumor growth without appearing to be harmful [1]. With elimination half-lives of 147 minutes (ip), 210 minutes (iv), and 178 minutes (po), BS-194 (ip, iv, po, 10 mg/kg) is orally accessible [1]. In nu/nu-BALB/c athymic nude mice, BS-194 (oral gavage, 25 mg/mL) decreases the fast phosphorylation of RB and PolII (RNA polymerase II) but restores it in less than a day [1]. In HCT116 tumor xenografts, BS-194 (oral gavage, 25 mg/kg daily for 14 days) suppresses tumor growth without significantly lowering the animal's body weight [1].
In vivo, BS-194 demonstrates oral bioavailability and efficacy in animal models of cancer. The compound has been studied in breast cancer models where it shows inhibition of tumor growth. Further details on in vivo efficacy are available in the primary research literature. |
| Enzyme Assay |
Non-cell kinase assays are performed using recombinant CDK proteins. Kinase activity is measured using radioactive [γ-³³P]ATP or ADP-Glo luminescent kinase assays. CDK enzymes are incubated with substrate (histone H1 or specific peptide substrates), ATP, and varying concentrations of BS-194 (0.001-10 μM) in kinase buffer at 30°C for 30-60 minutes. The reaction is terminated, and substrate phosphorylation is quantified. IC₅₀ values are calculated from dose-response curves.
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| Cell Assay |
Cell cycle analysis [1]
Cell Types: HCT116 Tested Concentrations: 0, 0.01, 0.1, 1, 10 μM Incubation Duration: 24 h Experimental Results: G1 phase was Dramatically diminished, S phase and G2/M phase were increased. Western Blot Analysis[1] Cell Types: HCT116 Tested Concentrations: 0, 0.1, 10, 20 μM Incubation Duration: 0, 0.1, 10, 20 μM Experimental Results: Inhibition of CDK2 Substrate RB (Retinoblastoma) Ser-780, Ser Phospho-795, Ser-801, Ser-807/Ser-811 and Thr-821. Levels of cyclin A, cyclin B, and cyclin D1 were inhibited. Inhibits the phosphorylation of CDK2 Thr-170. Cellular assays are performed using cancer cell lines (e.g., MCF-7, MDA-MB-231 for breast cancer). Cells are treated with BS-194 at concentrations ranging from 0.01-10 μM for 24-72 hours. Cell viability is assessed using MTT or CellTiter-Glo assays. Cell cycle analysis is performed by flow cytometry after propidium iodide staining. CDK substrate phosphorylation (e.g., retinoblastoma protein) is assessed by Western blotting. Apoptosis is evaluated by Annexin V staining. |
| Animal Protocol |
Animal/Disease Models: Nude mice carrying MCF-7 cells [1]
Doses: 5 or 10 mg/kg twice (two times) daily for 14 days. Mode of Route of Administration: intraperitoneal (ip) injection Experimental Results: Inhibition of tumor growth in a dose-dependent manner (30% and 40% reduction at 5 mg/kg dose and 10 mg/kg dose, respectively). Animal/Disease Models: HCT116 tumor xenografts [1] Doses: 25 mg/kg daily for 14 days. Mode of Route of Administration: po (oral gavage). Experimental Results: At 25 mg/kg, the tumor growth inhibition rate was diminished by 50%. Rb phosphorylation levels at Ser807/811 and Thr821 were diminished (in resected tumors). Animal/Disease Models: Mice (pharmacokinetic/PK/PK determination) [1] Doses: 10 mg/kg Route of Administration: intraperitoneal (ip) injection, intravenous (iv) (iv)injection, oral administration Experimental Results: pharmacokinetic/PK/PK characteristics of BS-194 (compound 4k). Route of administration dose (mg/kg) Bioavailability (%) Cmax (min) T1/2 (min) ip 10 73 30 147 po 10 88 15 178 Route of administration dose (mg/kg) T1/2 (min) Cl (mL/min/kg) Vz intravenous (iv) (iv)injection 10 210 5 1391 In vivo studies are conducted in mouse xenograft models using human cancer cell lines. Tumor-bearing mice are treated orally with BS-194 at doses determined from pharmacokinetic studies (typically 10-100 mg/kg, once or twice daily for 14-21 days). Tumor volume is measured by calipers. At study termination, tumors are harvested for immunohistochemistry and Western blotting to assess target engagement and pharmacodynamic markers. |
| ADME/Pharmacokinetics |
BS-194 is orally active with good bioavailability in preclinical species. The compound shows favorable pharmacokinetic properties for once- or twice-daily dosing. Further details on half-life, clearance, volume of distribution, and protein binding are available in the primary research literature. Metabolism is expected to occur via hepatic cytochrome P450 enzymes.
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| Toxicity/Toxicokinetics |
Comprehensive toxicology data for BS-194 are limited to research use. As a CDK inhibitor, the compound may cause myelosuppression and gastrointestinal toxicity at high doses, consistent with class effects. No significant organ-specific toxicity has been reported at effective doses. Standard safety pharmacology studies would be required for clinical development.
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| References | |
| Additional Infomation |
BS-194 is a research compound developed as a selective CDK inhibitor for cancer therapy. Its potency against CDK2 (IC₅₀=3 nM) makes it a valuable tool for studying CDK-dependent cell cycle regulation. The compound has shown efficacy in breast cancer research and is being investigated for other CDK-driven malignancies. BS-194 is not approved for clinical use and is available for research purposes only.
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| Molecular Formula |
C20H27N5O3
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|---|---|
| Molecular Weight |
385.47
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| Exact Mass |
385.211
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| CAS # |
1092443-55-4
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| Related CAS # |
1092443-55-4;
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| PubChem CID |
25125014
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| Appearance |
Typically exists as solid at room temperature
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| Density |
1.3±0.1 g/cm3
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| Index of Refraction |
1.651
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| LogP |
1.37
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| Hydrogen Bond Donor Count |
5
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| Hydrogen Bond Acceptor Count |
7
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| Rotatable Bond Count |
9
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| Heavy Atom Count |
28
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| Complexity |
463
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| Defined Atom Stereocenter Count |
2
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| SMILES |
CC(C)C1=C2N=C(C=C(NCC3=CC=CC=C3)N2N=C1)N[C@@H](CO)[C@@H](CO)O
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| InChi Key |
KRIWIRSMQRQYJG-DLBZAZTESA-N
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| InChi Code |
InChI=1S/C20H27N5O3/c1-13(2)15-10-22-25-19(21-9-14-6-4-3-5-7-14)8-18(24-20(15)25)23-16(11-26)17(28)12-27/h3-8,10,13,16-17,21,26-28H,9,11-12H2,1-2H3,(H,23,24)/t16-,17+/m0/s1 SMILES
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| Chemical Name |
(2S,3S)-3-[[7-(benzylamino)-3-propan-2-ylpyrazolo[1,5-a]pyrimidin-5-yl]amino]butane-1,2,4-triol
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| Synonyms |
BS-194 BS194 BS194.
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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 : ~100 mg/mL (~259.43 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 | 2.5942 mL | 12.9712 mL | 25.9424 mL | |
| 5 mM | 0.5188 mL | 2.5942 mL | 5.1885 mL | |
| 10 mM | 0.2594 mL | 1.2971 mL | 2.5942 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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