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BAY 1000394 CDK inhibitor

Name: BAY 1000394
Brand: Selleck Chemicals
SKU: S7047
Availability: InStock
Rating: 5 (1 reviews)

Cat.No.S7047

BAY 1000394 (Roniciclib) is a potent inhibitor of pan-CDK, that inhibits the kinase activity of the cell-cycle cyclin-dependent kinases (CDKs), with IC50 of 7, 9, 11, 25 and 5 nmol/L for CDK1, CDK2, CDK4, CDK7 and CDK9, respectively. This compound induces cell-cycle arrest and apoptosis and exhibits potent antitumor activity.

Chemical Structure

Molecular Weight: 430.44

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Quality Control

Batch: S704701 DMSO]86 mg/mL]false]Ethanol]86 mg/mL]false]Water]Insoluble]false Purity: 99.23%

Cited in Nature Medicine for its top-tier quality
COA
HPLC
SDS
Datasheet

99.23

Related Targets	HSP K-Ras PD-1/PD-L1 ROCK Wee1 DNA/RNA Synthesis Microtubule Associated Ras Aurora Kinase Casein Kinase
Other CDK Products	Ro-3306 Dinaciclib JNJ-7706621 AZD4573 Enitociclib (BAY 1251152) SEL120 (SEL120-34A) hydrochloride Samuraciclib (ICEC0942) hydrochloride ON123300 AS2863619 PF-07220060 (CDK4/6-IN-6) SY-5609 INX-315 Tagtociclib (PF-07104091)

Solubility

In vitro
Batch:

DMSO : 86 mg/mL (199.79 mM)
(Moisture-contaminated DMSO may reduce solubility. Use fresh, anhydrous DMSO.)

Ethanol : 86 mg/mL

Water : Insoluble

Molarity Calculator

Mass	Concentration	Volume	Molecular Weight
Mass value Mass unit	Concentration value Concentration unit	Volume value Volume unit	Molecular weight (g/mol)

Dilution Calculator Molecular Weight Calculator

In vivo batch selection In vivo Batch:
Homogeneous suspension	CMC-NA	≥5mg/ml	Taking the 1 mL working solution as an example, add 5 mg of this product to 1 ml of CMC-Na solution, mix evenly to obtain a homogeneous suspension with a final concentration of 5 mg/ml.
Clear solution	5%DMSO 1 40%PEG300 2 5%Tween80 3 50%ddH2O Validated by Selleck labs. Should you need adjustments to this formulation, contact our sales team for custom testing.	4.300mg/ml (9.99mM)	Taking the 1 mL working solution as an example, add 50 μL of 86 mg/ml clarified DMSO stock solution to 400 μL of PEG300, mix evenly to clarify it; add 50 μL of Tween80 to the above system, mix evenly to clarify; then continue to add 500 μL of ddH2O to adjust the volume to 1 mL. The mixed solution should be used immediately for optimal results.
Clear solution	5% DMSO 1 95% Corn oil Validated by Selleck labs. Should you need adjustments to this formulation, contact our sales team for custom testing.	0.700mg/ml (1.63mM)	Taking the 1 mL working solution as an example, add 50 μL of 14 mg/ml clear DMSO stock solution to 950 μL of corn oil and mix evenly. The mixed solution should be used immediately for optimal results.

In vivo Formulation Calculator (Clear solution)

Step 1: Enter information below (Recommended: An additional animal making an allowance for loss during the experiment)

Dosage: mg/kg

Average weight of animals: g

Dosing volume per animal: μL

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Step 2: Enter the in vivo formulation (This is only the calculator, not formulation. Please contact us first if there is no in vivo formulation at the solubility Section.)

% DMSO

% Tween 80

% ddH₂O

% DMSO

Calculation results:

Working concentration: mg/ml;

Method for preparing DMSO master liquid: mg drug pre-dissolved in μL DMSO ( Master liquid 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 master liquid, next addμL PEG300, mix and clarify, next addμL Tween 80, mix and clarify, next add μL ddH₂O, mix and clarify.

Method for preparing in vivo formulation: Take μL DMSO master liquid, next add μL Corn oil, mix and clarify.

Note: 1. Please make sure the liquid is clear before adding the next solvent.
2. Be sure to add the solvent(s) in order. You must ensure that the solution obtained, in the previous addition, is a clear solution before proceeding to add the next solvent. Physical methods such
as vortex, ultrasound or hot water bath can be used to aid dissolving.

Chemical Information, Storage & Stability

Molecular Weight	430.44	Formula	C₁₈H₂₁F₃N₄O₃S	Storage (From the date of receipt)	3 years-20°Cpowder
CAS No.	1223498-69-8	Download SDF		Storage of Stock Solutions	1 year-80°Cin solvent 1 month-20°Cin solvent

Mechanism of Action

Targets/IC₅₀/Ki	CDK9 5 nM CDK1 7 nM CDK2 9 nM CDK4 11 nM CDK7 25 nM
In vitro	BAY 1000394 inhibits the kinase activity of the cell-cycle CDKs CDK1/cyclin B, CDK2/cyclin E, and CDK4/cyclin D with IC50 values of 7, 9, and 11 nM, respectively. The transcriptional CDKs CDK9/cyclin T1 and CDK7/cyclin H/MAT1 are also inhibited by this compound in a similar range (5 and 25 nM), as well as the other CDK family members, classifying it as a pan-CDK inhibitor. This chemical simultaneously inhibits cell-cycle progression and of RNA polymerase II-mediated gene transcription. On a panel of 214 non-CDK Ser/Thr and Tyr kinases, 16 additional kinases are found to be inhibited by this inhibitor with IC50 values below 100 nM. It displays broad and uniform inhibitory activity on cancer cell proliferation with IC50s values between 9 and 79 nM (mean 39 nM) for a panel of 40 human lung tumor cell lines, and IC50s between 6 an d 84 nM (mean 37 nM) for a panel of 24 human breast tumor and immortalized cell lines. Within these panels, which represent a broad range of genetic backgrounds (p53, pRB, K-Ras, PGP, etc.), no cell line could be identified that is poorly sensitive towards treatment with this agent. Antiproliferative activity of the compound is associated with the induction of apoptotic cell death. Exposure of asynchronously growing HeLa cells to it for 24 hours reduces the fraction of cells with 2N content, from 69% to 52% compared with vehicle treated cells and strongly increases the fraction of cells with less than 2N DNA content from 1% to 16%. Only minor shifts are observed for cells in S, G2, or M phase.
Kinase Assay	Kkinase assays
Kinase Assay	Recombinant CDK1 and CycB-GST fusion proteins, and CDK2 and CycE-GST fusion proteins, are purified from baculovirus-infected Sf9 insect cells. Histon IIIS is used as kinase substrate. Inhibition of kinase activity is determined by substrate phosphorylation assays using ^{3P-gamma adenosine triphosphate. This compound is counter screened against a panel of 220 kinases using the Kinase profiler screen at 500 nM.}
In vivo	BAY 1000394 shows potent tumor growth inhibition in monotreatment upon oral application in various dosing schedules in a dose-dependent manner, activity in models of treatment-refractory tumors, and efficacy in cell-line–derived as well as in patient tumor–derived models. This compound (2 mg/kg) suppresses growth of HeLa-MaTu xenografts tumor with T/C values of 0.03 and signs of tumor regression. It shows additive efficacy in combination with cisplatin. Addition of this chemical to cisplatin results in a strong tumor growth inhibition of NCI-H82 SCLC xenograft tumors with T/C values of 0.01 (1.0 mg/kg this compound) and -0.02 (1.5 mg/kg this compound).
References	[1] https://pubmed.ncbi.nlm.nih.gov/22821149/

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