| Size | Price | Stock | Qty |
|---|---|---|---|
| 100mg |
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| 500mg | |||
| Other Sizes |
| Targets |
CDK9, HIV-1[1]
CDK9-IN-30 targets CDK9, a cyclin-dependent kinase that is a component of the positive transcription elongation factor b (P-TEFb) complex. CDK9 is essential for the phosphorylation of RNA polymerase II and the efficient elongation of transcription. HIV-1 relies on the viral Tat protein to recruit P-TEFb to the viral long terminal repeat (LTR) promoter, thereby activating viral transcription. By inhibiting CDK9, CDK9-IN-30 blocks HIV-1 LTR-activated transcription and suppresses viral replication. |
|---|---|
| ln Vitro |
In vitro, CDK9-IN-30 inhibits HIV-1 viral replication by blocking HIV-1 long terminal repeat-activated transcription. The compound demonstrates strong activity in suppressing tumor cell proliferation and promoting apoptosis, with minimal off-target effects on other CDKs. As a Tat peptide derivative, CDK9-IN-30 provides a mechanistic tool to study host transcriptional control of viral replication.
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| ln Vivo |
In vivo activity data for CDK9-IN-30 are limited. Based on its in vitro activity against HIV-1 replication and its effects on tumor cell proliferation, the compound may have potential for in vivo studies in models of HIV infection or cancer. Typical in vivo studies for CDK9 inhibitors involve administration to animal models to assess antiviral or antitumor efficacy.
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| Enzyme Assay |
For non-cellular in vitro enzyme assays, CDK9-IN-30 is evaluated for its inhibitory activity against CDK9. The compound is incubated with CDK9 (in complex with cyclin T1), ATP, and a substrate peptide in kinase buffer. The phosphorylation of the substrate is measured using radioactive labeling, fluorescence, or antibody-based detection methods. The compound's selectivity for CDK9 over other CDKs is assessed to confirm its specificity.
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| Cell Assay |
For in vitro cellular assays, CDK9-IN-30 is tested in HIV-1-infected cell lines to assess its antiviral activity. Cells are infected with HIV-1 and treated with serial dilutions of the compound. Viral replication is measured by quantifying viral RNA, p24 antigen, or infectivity. The compound's effects on tumor cell proliferation and apoptosis are assessed in cancer cell lines. Cell viability is measured using standard assays. The compound is soluble in DMSO.
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| Animal Protocol |
For in vivo animal studies, CDK9-IN-30 would typically be evaluated in mouse models of HIV infection or cancer. For HIV studies, humanized mice or other appropriate models may be used. Mice are treated with the compound at various doses, and viral load, CD4+ T cell counts, and survival are assessed. For cancer studies, tumor-bearing mice are treated with the compound, and tumor growth inhibition is measured.
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| ADME/Pharmacokinetics |
Pharmacokinetic data for CDK9-IN-30 are limited. As a small-molecule kinase inhibitor with a molecular weight of 293.33, it is expected to have favorable oral bioavailability and tissue distribution. The compound is soluble in DMSO and can be formulated for in vivo administration. Further pharmacokinetic studies would be needed to determine its absorption, distribution, metabolism, and excretion profile. The compound is for research use only and not for human use.
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| Toxicity/Toxicokinetics |
Toxicological data for CDK9-IN-30 indicate minimal off-target effects on other CDKs, suggesting a favorable toxicity profile. Comprehensive toxicology studies including acute and repeat-dose toxicity, genotoxicity, and organ-specific toxicity assessments would be required for therapeutic development. The compound is for research use only and not for human use.
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| References |
[1]. Van Duyne R, et al. Effect of mimetic CDK9 inhibitors on HIV-1-activated transcription. J Mol Biol. 2013 Feb 22;425(4):812-29.
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| Additional Infomation |
CDK9-IN-30 is a CDK9 inhibitor that inhibits HIV-1 viral replication. As one of the Tat peptide derivatives, it inhibits HIV-1 long terminal repeat-activated transcription. The compound demonstrates strong activity in suppressing tumor cell proliferation and promoting apoptosis, with minimal off-target effects on other CDKs. CDK9-IN-30 has a molecular weight of 293.33 and molecular formula C₁₆H₂₀FNO₃.
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| Molecular Formula |
C16H20FNO3
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|---|---|
| Molecular Weight |
293.3333
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| Exact Mass |
293.142
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| CAS # |
748146-89-6
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| PubChem CID |
2374064
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| Appearance |
White to off-white solid powder
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| LogP |
3.2
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| Hydrogen Bond Donor Count |
2
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| Hydrogen Bond Acceptor Count |
4
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| Rotatable Bond Count |
5
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| Heavy Atom Count |
21
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| Complexity |
372
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| Defined Atom Stereocenter Count |
0
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| SMILES |
C1CCC(CC1)(CC(=O)NC2=CC=C(C=C2)F)CC(=O)O
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| InChi Key |
NWYDUMKUVBYKQI-UHFFFAOYSA-N
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| InChi Code |
InChI=1S/C16H20FNO3/c17-12-4-6-13(7-5-12)18-14(19)10-16(11-15(20)21)8-2-1-3-9-16/h4-7H,1-3,8-11H2,(H,18,19)(H,20,21)
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| Chemical Name |
2-[1-[2-(4-fluoroanilino)-2-oxoethyl]cyclohexyl]acetic acid
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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 | 3.4091 mL | 17.0456 mL | 34.0913 mL | |
| 5 mM | 0.6818 mL | 3.4091 mL | 6.8183 mL | |
| 10 mM | 0.3409 mL | 1.7046 mL | 3.4091 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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