| Size | Price | Stock | Qty |
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| 1mg |
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| Other Sizes |
| Targets |
PROTAC CDK9 ligand-1 targets cyclin-dependent kinase 9 (CDK9), a key regulator of transcriptional elongation. CDK9 forms the core of the positive transcription elongation factor b (P-TEFb) complex. By acting as a specific CDK9 ligand, this compound is designed to recruit CDK9 to an E3 ubiquitin ligase when incorporated into a PROTAC molecule, leading to the ubiquitination and proteasomal degradation of CDK9.
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| ln Vitro |
In vitro, PROTAC CDK9 ligand-1 itself is a ligand for CDK9. Its primary activity is its ability to bind to CDK9. When conjugated into a full PROTAC molecule, the resulting construct has been shown to suppress CDK9-dependent transcriptional programs. The ligand is a CDK9 ligand that may be utilized in the preparation/synthesis of PROTAC.
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| ln Vivo |
PROTAC CDK9 ligand-1 is a research chemical intended as a building block for PROTAC synthesis. Specific in vivo activity data for the ligand alone have not been reported. However, PROTACs synthesized using this ligand have the potential to degrade CDK9 in vivo, leading to the suppression of CDK9-dependent transcriptional programs.
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| Enzyme Assay |
A cell-free binding assay for PROTAC CDK9 ligand-1 would involve surface plasmon resonance (SPR) or isothermal titration calorimetry (ITC) to measure the binding affinity (Kd) between the ligand and purified CDK9 protein. A competitive binding assay with a known CDK9 inhibitor could also be performed. The compound is typically dissolved in DMSO. Recombinant CDK9 protein is immobilized on a sensor chip, and increasing concentrations of the ligand are flowed over the chip. Association and dissociation rates are measured, and the Kd value is calculated.
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| Cell Assay |
PROTAC CDK9 ligand-1 is a small molecule used for PROTAC synthesis. It is not used directly in a typical cell-based assay for biological activity without being conjugated into a full PROTAC. Researchers utilize this ligand to create PROTAC molecules. The resulting PROTAC is then tested in cellular assays, such as Western blotting for CDK9 protein levels, or cell viability assays in CDK9-dependent cancer cell lines to assess its ability to degrade CDK9 and inhibit cell proliferation.
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| Animal Protocol |
A standard in vivo animal protocol for a CDK9 PROTAC would involve xenograft mouse models. Female BALB/c nude mice are implanted subcutaneously with cancer cells (e.g., HeLa or MV-4-11). When tumors reach 100-150 mm3, mice are randomized into groups and treated intraperitoneally (i.p.) or intravenously (i.v.) with the PROTAC. Tumor volume and body weight are measured regularly. At the end of the study, tumors are excised, and CDK9 degradation is confirmed by Western blot.
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| ADME/Pharmacokinetics |
As a CDK9 ligand, PROTAC CDK9 ligand-1 has a molecular weight of 368.48 g/mol. It is a solid powder, soluble in DMSO. The product should be stored at -20degC, sealed and away from moisture. In solution, it is stable for 6 months at -80degC. These properties are suitable for in vitro PROTAC synthesis. Specific PK data have not been reported.
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| Toxicity/Toxicokinetics |
Detailed toxicity data for PROTAC CDK9 ligand-1 have not been reported. As a research chemical, standard laboratory safety precautions should be followed. The compound should be handled using appropriate PPE in a well-ventilated area.
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| References | |
| Additional Infomation |
PROTAC CDK9 ligand-1 (CAS: 3031327-95-1) is not an approved drug; it is strictly a research tool for PROTAC development. It is a versatile ligand for CDK9, enabling the synthesis of potent and selective degraders. When used in PROTACs, it degrades CDK9, which is a promising target for cancer therapy due to its role in transcriptional regulation. This product is for research use only.
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| Molecular Formula |
C20H28N6O
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|---|---|
| Molecular Weight |
368.48
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| Exact Mass |
368.232
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| CAS # |
3031327-95-1
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| PubChem CID |
162640606
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| Appearance |
Off-white to light yellow solid powder
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| Hydrogen Bond Donor Count |
4
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| Hydrogen Bond Acceptor Count |
6
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| Rotatable Bond Count |
8
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| Heavy Atom Count |
27
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| Complexity |
442
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| Defined Atom Stereocenter Count |
1
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| SMILES |
CC[C@@H](CO)NC1=NC2=C(C=NN2C(=C1)NCC3=CC=C(C=C3)N)C(C)C
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| InChi Key |
ZTQFEMJXWCDAAJ-INIZCTEOSA-N
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| InChi Code |
InChI=1S/C20H28N6O/c1-4-16(12-27)24-18-9-19(22-10-14-5-7-15(21)8-6-14)26-20(25-18)17(11-23-26)13(2)3/h5-9,11,13,16,22,27H,4,10,12,21H2,1-3H3,(H,24,25)/t16-/m0/s1
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| Chemical Name |
(2S)-2-[[7-[(4-aminophenyl)methylamino]-3-propan-2-ylpyrazolo[1,5-a]pyrimidin-5-yl]amino]butan-1-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 Note: Please store this product in a sealed and protected environment, avoid exposure to moisture. |
| 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 | 2.7139 mL | 13.5693 mL | 27.1385 mL | |
| 5 mM | 0.5428 mL | 2.7139 mL | 5.4277 mL | |
| 10 mM | 0.2714 mL | 1.3569 mL | 2.7139 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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