| Size | Price | Stock | Qty |
|---|---|---|---|
| 5mg |
|
||
| 10mg |
|
||
| 50mg |
|
||
| 100mg | |||
| 250mg | |||
| Other Sizes |
| Targets |
CDK9-IN-1 targets cyclin-dependent kinase 9 (CDK9), a key regulator of transcription and RNA polymerase II-mediated gene expression. CDK9 is necessary for the infection of many viruses including HIV-1 and HSV-1. The compound shows an IC₅0 of 39 nM for CDK9/CycT1 and is selective for CDK9 over CDK1-7 (IC₅0 >1,000 nM for all).
|
|---|---|
| ln Vitro |
CDK9-IN-1 is a strong CDK9 inhibitor with excellent activity against HIV-1 replication [1].
In vitro, CDK9-IN-1 inhibits CDK9/CycT1 with an IC₅0 of 39 nM. It shows high activity against HIV-1 replication in cell-based assays. The compound is selective for CDK9 over CDK4 (10-fold) and CDK1/2/3/5/6/7 (>100-fold). It is a 4-aminophenyl derivative based on the (6-phenyl-pyrimidin-4-yl)-phenylamine structure. Detailed cellular activity data are available in the literature. |
| ln Vivo |
In vivo activity data for CDK9-IN-1 are not extensively documented. As a potent CDK9 inhibitor with antiviral activity, the compound is expected to show efficacy in animal models of HIV infection or cancer. CDK9 inhibition is a promising approach in antiviral drug development. Further in vivo studies would be needed to characterize its pharmacokinetic and efficacy profile.
|
| Enzyme Assay |
The in vitro kinase inhibition assay for CDK9 uses recombinant CDK9/CycT1 complex and a peptide substrate with ATP. Kinase activity is measured by quantifying phosphorylated substrate using radioactive ATP incorporation, fluorescence polarization, or luminescence-based methods (such as ADP-Glo). IC₅0 values are calculated from dose-response curves. Selectivity against CDK1-7 and other kinases is assessed similarly.
|
| Cell Assay |
For in vitro cell-based assays, HIV-infected cells or cancer cell lines are cultured and treated with CDK9-IN-1 at various concentrations. HIV-1 replication is measured by p24 antigen ELISA or viral RNA quantification by RT-PCR. Cell viability is assessed using MTT or other proliferation assays. CDK9 inhibition is confirmed by assessing RNA polymerase II phosphorylation (Ser2) by Western blot. Experiments are typically performed in triplicate.
|
| Animal Protocol |
In vivo animal studies for CDK9-IN-1 would typically involve mouse models of HIV infection (such as humanized mouse models) or xenograft cancer models. The compound is administered orally or intraperitoneally at various doses. Viral load is measured in HIV models, or tumor volume is measured in cancer models. Target engagement is confirmed by assessing RNA polymerase II phosphorylation in tissues. Pharmacokinetic studies may also be performed.
|
| ADME/Pharmacokinetics |
Pharmacokinetic properties of CDK9-IN-1 are not extensively documented. The compound has molecular weight not specified in the available literature. It is soluble in DMSO and typically formulated for in vitro and in vivo studies. The compound is a 4-aminophenyl derivative based on the (6-phenyl-pyrimidin-4-yl)-phenylamine structure. Further detailed PK parameters (half-life, Cmax, AUC, bioavailability) would require dedicated studies. Storage at -20degC is recommended.
|
| Toxicity/Toxicokinetics |
Toxicological data for CDK9-IN-1 are not well characterized in the public domain. As a research chemical, standard safety precautions should be observed. The compound is for laboratory use only and not intended for human therapeutic applications. CDK9 inhibitors as a class may have potential effects on transcription and cell cycle regulation. Comprehensive toxicity profiling would be required for therapeutic development.
|
| References | |
| Additional Infomation |
N-[5-[[6-[3-(1,3-dioxo-2-isoindolyl)phenyl]-4-pyrimidinyl]amino]-2-methylphenyl]methanesulfonamide is a pyrimidine compound.
CDK9-IN-1 (CAS# 1415559-43-1) is a selective and potent CDK9 inhibitor. It has an IC₅0 of 39 nM for CDK9/CycT1 and shows high activity against HIV-1 replication. The compound is used in antiviral and oncology research and is not approved for clinical use. |
| Molecular Formula |
C26H21N5O4S
|
|---|---|
| Molecular Weight |
499.541043996811
|
| Exact Mass |
499.131
|
| CAS # |
1415559-43-1
|
| PubChem CID |
66577006
|
| Appearance |
White to off-white solid powder
|
| LogP |
5.659
|
| Hydrogen Bond Donor Count |
2
|
| Hydrogen Bond Acceptor Count |
8
|
| Rotatable Bond Count |
6
|
| Heavy Atom Count |
36
|
| Complexity |
900
|
| Defined Atom Stereocenter Count |
0
|
| InChi Key |
CKUFOBCNTCLXJP-UHFFFAOYSA-N
|
| InChi Code |
InChI=1S/C26H21N5O4S/c1-16-10-11-18(13-22(16)30-36(2,34)35)29-24-14-23(27-15-28-24)17-6-5-7-19(12-17)31-25(32)20-8-3-4-9-21(20)26(31)33/h3-15,30H,1-2H3,(H,27,28,29)
|
| Chemical Name |
N-[5-[[6-[3-(1,3-dioxoisoindol-2-yl)phenyl]pyrimidin-4-yl]amino]-2-methylphenyl]methanesulfonamide
|
| HS Tariff Code |
2934.99.9001
|
| 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)
|
| Solubility (In Vitro) |
DMSO : ~100 mg/mL (~200.18 mM)
|
|---|---|
| Solubility (In Vivo) |
Solubility in Formulation 1: ≥ 2.5 mg/mL (5.00 mM) (saturation unknown) in 10% DMSO + 90% Corn Oil (add these co-solvents sequentially from left to right, and one by one), clear solution.
For example, if 1 mL of working solution is to be prepared, you can add 100 μL of 25.0 mg/mL clear DMSO stock solution to 900 μL of corn oil and mix evenly. (Please use freshly prepared in vivo formulations for optimal results.) |
| Preparing Stock Solutions | 1 mg | 5 mg | 10 mg | |
| 1 mM | 2.0018 mL | 10.0092 mL | 20.0184 mL | |
| 5 mM | 0.4004 mL | 2.0018 mL | 4.0037 mL | |
| 10 mM | 0.2002 mL | 1.0009 mL | 2.0018 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.
Products are for research use only; We do not sell to patients
Copyright 2020 InvivoChem LLC | All Rights Reserved
