Referencia número: HY-13914

Roniciclib

(Synonyms: BAY 1000394)

2 Cited Publications

Revisión del cliente

Based on 2 publication(s) in Google Scholar

Roniciclib is an orally bioavailable pan-cyclin dependent kinase (CDK) inhibitor, with IC₅₀s of 5-25 nM for CDK1, CDK2, CDK3, CDK4, CDK7 and CDK9.

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Pureza: 98.00%
No. CAS: 1223498-69-8
Fòrmula: C₁₈H₂₁F₃N₄O₃S
Peso molecular:430.44

Almacenamiento:

Powder -20°C, 3 years , 4°C, 2 years ; In solvent -80°C, 2 years , -20°C, 1 year

Roniciclib Chemical Structure

No. CAS: 1223498-69-8

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Fluorescent Dye

Strong Fluorescence Signal / Multi-Disciplinary Applications / High Fluorescence Specificity

Actividad biológica
- Descripciòn
- IC₅₀ & Target
- Cellular Effect
- In Vitro
- In Vivo
- Ensayo clínico
Chemical Information
Publications (2)
Solvente y solubilidad
- In Vitro
- In Vivo
Protocolo
Pureza y Documentación
Referencias
Help & FAQs
Classifications
Bioz

Actividad biológica

Descripciòn

Roniciclib is an orally bioavailable pan-cyclin dependent kinase (CDK) inhibitor, with IC₅₀s of 5-25 nM for CDK1, CDK2, CDK3, CDK4, CDK7 and CDK9.

IC₅₀ & Target^[1]

Cdk1/cyclin B

7 nM (IC₅₀)

CDK2/cyclinE

9 nM (IC₅₀)

CDK4/cyclin D

11 nM (IC₅₀)

CDK9/cyclinT1

5 nM (IC₅₀)

CDK7/Cyclin H/MAT1

25 nM (IC₅₀)

Ver todos los productos específicos de isoformas CDK :

Cellular Effect

Cell Line	Type	Value	Description	References
MCF7	IC₅₀	15 nM Compound: BAY-1000394	Cytotoxicity against human MCF7 cells assessed as growth inhibition after 96 hrs Cytotoxicity against human MCF7 cells assessed as growth inhibition after 96 hrs	[PMID: 26115571]
MCF7	IC₅₀	16 nM Compound: 28	Antiproliferative activity against human MCF7 cells after 4 days by crystal violet staining based assay Antiproliferative activity against human MCF7 cells after 4 days by crystal violet staining based assay	[PMID: 30639897]
Sf21	IC₅₀	25 nM Compound: BAY 1000394	Inhibition of recombinant human C-terminal His6-tagged full length CDK7/untagged recombinant full length human Cyclin H/N-terminal GST-tagged recombinant full length human MAT1 expressed in baculovirus infected Sf21 insect cells using cdk7 peptide as subs Inhibition of recombinant human C-terminal His6-tagged full length CDK7/untagged recombinant full length human Cyclin H/N-terminal GST-tagged recombinant full length human MAT1 expressed in baculovirus infected Sf21 insect cells using cdk7 peptide as subs	[PMID: 30543440]
Sf21	IC₅₀	5 nM Compound: BAY 1000394	Inhibition of recombinant human full-length C-terminal His6-tagged CDK9/human full-length untagged cyclin T1 expressed in baculovirus infected Sf21 insect cells using PDKtide as substrate Inhibition of recombinant human full-length C-terminal His6-tagged CDK9/human full-length untagged cyclin T1 expressed in baculovirus infected Sf21 insect cells using PDKtide as substrate	[PMID: 30543440]
Sf21	IC₅₀	9 nM Compound: BAY 1000394	Inhibition of recombinant human full-length C-terminal His6-tagged CDK3/full-length human N-terminal GST-tagged Cyclin E expressed in baculovirus infected Sf21 insect cells using histone H1 as substrate Inhibition of recombinant human full-length C-terminal His6-tagged CDK3/full-length human N-terminal GST-tagged Cyclin E expressed in baculovirus infected Sf21 insect cells using histone H1 as substrate	[PMID: 30543440]
Sf9	IC₅₀	<10 nM Compound: BAY 1000394	Inhibition of recombinant human N-terminal thrombin cleavage site-fused/GST-tagged CDK2 (M1 to L298 residues)/Cyclin E1 (M1 to A395 residues) expressed in baculovirus infected Sf9 insect cells using histone 3s as substrate in presence of [gamma-33P] ATP Inhibition of recombinant human N-terminal thrombin cleavage site-fused/GST-tagged CDK2 (M1 to L298 residues)/Cyclin E1 (M1 to A395 residues) expressed in baculovirus infected Sf9 insect cells using histone 3s as substrate in presence of [gamma-33P] ATP	[PMID: 30543440]
Sf9	IC₅₀	7 nM Compound: 6; BAY-1000394	Inhibition of human recombinant N-terminal GST/HIS6-tagged CDK1 (1 to 297 residues)/cyclin B1 (1 to 433 residues) expressed in baculovirus infected Sf9 insect cells using histone 3 as substrate by 33P-gamma ATP based assay Inhibition of human recombinant N-terminal GST/HIS6-tagged CDK1 (1 to 297 residues)/cyclin B1 (1 to 433 residues) expressed in baculovirus infected Sf9 insect cells using histone 3 as substrate by 33P-gamma ATP based assay	[PMID: 27171036]
Sf9	IC₅₀	7 nM Compound: BAY 1000394	Inhibition of recombinant human N-terminal GST/His6-tagged CDK1 (M1 to M297 residues)/Cyclin B1 (M1 to V433 residues) expressed in baculovirus infected Sf9 insect cells using histone 3s as substrate in presence of [gamma-33P] ATP Inhibition of recombinant human N-terminal GST/His6-tagged CDK1 (M1 to M297 residues)/Cyclin B1 (M1 to V433 residues) expressed in baculovirus infected Sf9 insect cells using histone 3s as substrate in presence of [gamma-33P] ATP	[PMID: 30543440]
Sf9	IC₅₀	7 nM Compound: BAY-1000394	Inhibition of recombinant CDK1/GST-fused cyclin B (unknown origin) expressed in baculovirus infected insect Sf9 cells by substrate phosphorylation assay in presence of [33P]-gamma adenosine triphosphate Inhibition of recombinant CDK1/GST-fused cyclin B (unknown origin) expressed in baculovirus infected insect Sf9 cells by substrate phosphorylation assay in presence of [33P]-gamma adenosine triphosphate	[PMID: 26115571]
Sf9	IC₅₀	9 nM Compound: 6; BAY-1000394	Inhibition of human recombinant full length N-terminal GST-tagged CDK2 (1 to 298 residues)/cyclin E1 (1 to 395 residues) expressed in Sf9 insect cells using histone 3 as substrate by 33P-gamma ATP based assay Inhibition of human recombinant full length N-terminal GST-tagged CDK2 (1 to 298 residues)/cyclin E1 (1 to 395 residues) expressed in Sf9 insect cells using histone 3 as substrate by 33P-gamma ATP based assay	[PMID: 27171036]
Sf9	IC₅₀	9 nM Compound: BAY-1000394	Inhibition of recombinant CDK2/GST-fused cyclin E (unknown origin) expressed in baculovirus infected insect Sf9 cells by substrate phosphorylation assay in presence of [33P]-gamma adenosine triphosphate Inhibition of recombinant CDK2/GST-fused cyclin E (unknown origin) expressed in baculovirus infected insect Sf9 cells by substrate phosphorylation assay in presence of [33P]-gamma adenosine triphosphate	[PMID: 26115571]

In Vitro

Roniciclib (BAY 1000394) inhibits the kinase activity of the cell-cycle CDKs CDK1/cyclin B, CDK2/cyclin E, and CDK4/cyclinDwith IC₅₀ values of 7, 9, and 11 nM, respectively. The transcriptional CDKs CDK9/cyclin T1 and CDK7/cyclin H/MAT1 are inhibited in a similar range (5 and 25 nM)^[1].
Roniciclib potently inhibits the proliferation of various human and murine tumor cell lines with a very balanced profile (mean IC₅₀ on human tumor cells: 16 nM)^[2].

MedChemExpress (MCE) has not independently confirmed the accuracy of these methods. They are for reference only.

In Vivo

Tumor growth is strongly inhibited in a dose-dependent manner with T/C values of 0.19 at the lower dose and of 0.02 (tumor regression) at the higher dose. Furthermore, Roniciclib strongly inhibits growth of HeLa-MaTu tumors that have been grown to a size of approximately 50mm² before start of treatment (day 8 after inoculation). Treatment with Roniciclib at doses of 1.5 and 1 mg/kg slow tumor growth to T/C values of 0.15 and 0.62, respectively. Addition of Roniciclib to cisplatin result in a strong tumor growth inhibition with T/C values of 0.01 (1.0 mg/kg Roniciclib) and -0.02 (1.5 mg/kg Roniciclib)^[1].
Roniciclib has low blood clearance rates in mouse, rat, and dog (0.51, 0.78, and 0.50 Lh^-1kg^-1, respectively) ^[2].

MedChemExpress (MCE) has not independently confirmed the accuracy of these methods. They are for reference only.

Ensayo clínico

NCT Number	Sponsor	Condition	Start Date	Phase A549
NCT01329991	Plexxikon\|		2011-05	PHASE1

Chemical Information

No. CAS 1223498-69-8
Appearance Solid
Peso molecular 430.44
Fòrmula C₁₈H₂₁F₃N₄O₃S
Color White to off-white
SMILES

C[C@@H](O)[C@H](OC1=NC(NC2=CC=C([S@@](=N)(C3CC3)=O)C=C2)=NC=C1C(F)(F)F)C
Synonyms

BAY 1000394
Envío

Room temperature in continental US; may vary elsewhere.

Almacenamiento

Powder	-20°C	3 years
	4°C	2 years
In solvent	-80°C	2 years
	-20°C	1 year

Publications (2)

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Journal Impact Factor

NPJ Breast Cancer

CDK2 inhibition enhances CDK4/6 inhibitor antitumor activity in comprehensive breast cancer PDX model screen. [Abstract]

2025 Dec 3;11(1):135. PMID: 41339342
bioRxiv

2026 Jan 25.

Solvente y solubilidad

In Vitro:

DMSO : ≥ 250 mg/mL (580.80 mM; Hygroscopic DMSO has a significant impact on the solubility of product, please use newly opened DMSO)

* "≥" means soluble, but saturation unknown.

View the Complete Stock Solution Preparation Table

Preparing Stock Solutions

View the Complete Stock Solution Preparation Table

Concentration Solvent Mass

1 mg

5 mg

10 mg

Concentration

Solvent

Mass

1 mM

2.3232 mL

11.6160 mL

23.2320 mL

5 mM

0.4646 mL

2.3232 mL

4.6464 mL

10 mM

0.2323 mL

1.1616 mL

2.3232 mL

Please refer to the solubility information to select the appropriate solvent. Once prepared, please aliquot and store the solution to prevent product inactivation from repeated freeze-thaw cycles.

Storage method and period of stock solution: -80°C, 2 years; -20°C, 1 year. When stored at -80°C, please use it within 2 years. When stored at -20°C, please use it within 1 year.

Calculadora de molaridad

Mass (g) = Concentration (mol/L) × Volume (L) × Molecular Weight (g/mol)

Mass Mass

Concentration Concentration

Volume Volume

Molecular Weight Molecular Weight

Calculadora de dilución

Concentration _(start) × Volume _(start) = Concentration _(final) × Volume _(final)

Concentration _(start) Concentration _(start)

Volume _(start) Volume _(start)

Concentration _(final) Concentration _(final)

Volume _(final) Volume _(final)

In Vivo:

Select the appropriate dissolution method based on your experimental animal and administration route.

Stock Solution Working Solution

For the following dissolution methods, please ensure to first prepare a clear stock solution using an In Vitro approach and then sequentially add co-solvents:
To ensure reliable experimental results, the clarified stock solution can be appropriately stored based on storage conditions. As for the working solution for In Vivo experiments, it is recommended to prepare freshly and use it on the same day.
The percentages shown for the solvents indicate their volumetric ratio in the final prepared solution. If precipitation or phase separation occurs during preparation, heat and/or sonication can be used to aid dissolution.

Protocol 1

Add each solvent one by one: 10% DMSO 40% PEG300 5% Tween-80 45% Saline

Solubility: ≥ 2.08 mg/mL (4.83 mM); Clear solution

This protocol yields a clear solution of ≥ 2.08 mg/mL (saturation unknown).

Taking 1 mL working solution as an example, add 100 μL DMSO stock solution (20.8 mg/mL) to 400 μL PEG300, and mix evenly; then add 50 μL Tween-80 and mix evenly; then add 450 μL Saline to adjust the volume to 1 mL.

Protocol 2

Add each solvent one by one: 10% DMSO 90% (20% SBE-β-CD in Saline)

Solubility: ≥ 2.08 mg/mL (4.83 mM); Clear solution

This protocol yields a clear solution of ≥ 2.08 mg/mL (saturation unknown).

Taking 1 mL working solution as an example, add 100 μL DMSO stock solution (20.8 mg/mL) to 900 μL 20% SBE-β-CD in Saline, and mix evenly.

Protocol 3

Add each solvent one by one: 10% DMSO 90% Corn Oil

Solubility: ≥ 2.08 mg/mL (4.83 mM); Clear solution

This protocol yields a clear solution of ≥ 2.08 mg/mL (saturation unknown). If the continuous dosing period exceeds half a month, please choose this protocol carefully.

Taking 1 mL working solution as an example, add 100 μL DMSO stock solution (20.8 mg/mL) to 900 μL Corn oil, and mix evenly.

In Vivo Dissolution Calculator

Please enter the basic information of animal experiments:

Dosage Dosage
mg/kg
Animal Weight (Per Animal) Animal Weight (Per Animal)
g
Dosing Volume (Per Animal) Dosing Volume (Per Animal)
μL
Number of Animals Number of Animals

Recommended: Prepare an additional quantity of animals to account for potential losses during experiments.

Recommended: Prepare an additional quantity of animals to account for potential losses during experiments.

Please enter your animal formula composition:

%
DMSO +

Recommended: Keep the proportion of DMSO in working solution below 2% if your animal is weak.
%
+
+
%
Tween-80 + +
%
Saline +

The co-solvents required include: DMSO, . All of co-solvents are available by MedChemExpress (MCE). , Tween 80. All of co-solvents are available by MedChemExpress (MCE).

Working solution concentration: 0.22 mg/mL

Protocolo

Animal Administration^[1]

Mice^[1]
Athymic mice bearing established HeLa-MaTu xenograft tumors of approx. 25 mm² in size are treated orally with Roniciclib (BAY 1000394) at doses of 0.5, 1.0, 1.5, and 2.0 mg/kg once daily for 21 days. Treatment is well tolerated as no body weight loss below the initial body weight is observed. Additional groups of mice are treated on a cyclic intermittent dosing schedule at doses of 1.5, 2.0, and 2.5 mg/kg twice daily for 2 days followed by 5 days without treatment (2 on/5 off). In total, 3 treatment cycles are completed^[1].

MedChemExpress (MCE) has not independently confirmed the accuracy of these methods. They are for reference only.

Pureza y Documentación

Select Batch:

Pureza: 99.98%

Assay: 99.98%

ee.: 99.98%

Ficha de datos (279 KB)
SDS (252 KB)
- English - EN (252 KB)
- Français - FR (252 KB)
- Deutsch - DE (252 KB)
- Norwegian - NO (252 KB)
- Español - ES (252 KB)
- Swedish - SV (252 KB)
- Italian - IT (252 KB)
- Korean - KR (252 KB)
- Portuguese - PT (252 KB)
COA (2659 KB)
Elemental Analysis Report (2659 KB)
HNMR (2659 KB)
CNMR (2659 KB)
RP-HPLC (2659 KB)
NP-HPLC (2659 KB)
MS (2659 KB)
LCMS (2659 KB)
IR (2659 KB)
GC (2659 KB)
OR (2659 KB)
SDS-PAGE (2659 KB)
SEC-HPLC (2659 KB)
Other Report (2659 KB)
Instrucciones de manejo (2659 KB)

Referencias

[1]. Siemeister G, et al. BAY 1000394, a novel cyclin-dependent kinase inhibitor, with potent antitumor activity in mono- and in combination treatment upon oral application. Mol Cancer Ther. 2012 Oct;11(10):2265-73. [Content Brief]

[2]. Lücking U, et al. The lab oddity prevails: discovery of pan-CDK inhibitor (R)-S-cyclopropyl-S-(4-{[4-{[(1R,2R)-2-hydroxy-1-methylpropyl]oxy}-5-(trifluoromethyl)pyrimidin-2-yl]amino}phenyl)sulfoximide (BAY 1000394) for the treatment of cancer. ChemMedChem. 2013 Jul;8(7):1067-85. [Content Brief]

Help & FAQs

How should lyophilized recombinant proteins be reconstituted and stored?

1. Before opening the cap, centrifuge the vial at 13000 rpm for 20-30 seconds. This step will ensure that any lyophilized powder that may have adhered to the cap or walls is collected at the bottom of the vial, minimizing the risk of product loss.

Complete Stock Solution Preparation Table

Storage method and period of stock solution: -80°C, 2 years; -20°C, 1 year. When stored at -80°C, please use it within 2 years. When stored at -20°C, please use it within 1 year.

Optional Solvent	Concentration Solvent Mass	1 mg	5 mg	10 mg	25 mg
DMSO	1 mM	2.3232 mL	11.6160 mL	23.2320 mL	58.0801 mL
	5 mM	0.4646 mL	2.3232 mL	4.6464 mL	11.6160 mL
	10 mM	0.2323 mL	1.1616 mL	2.3232 mL	5.8080 mL
	15 mM	0.1549 mL	0.7744 mL	1.5488 mL	3.8720 mL
	20 mM	0.1162 mL	0.5808 mL	1.1616 mL	2.9040 mL
	25 mM	0.0929 mL	0.4646 mL	0.9293 mL	2.3232 mL
	30 mM	0.0774 mL	0.3872 mL	0.7744 mL	1.9360 mL
	40 mM	0.0581 mL	0.2904 mL	0.5808 mL	1.4520 mL
	50 mM	0.0465 mL	0.2323 mL	0.4646 mL	1.1616 mL
	60 mM	0.0387 mL	0.1936 mL	0.3872 mL	0.9680 mL
	80 mM	0.0290 mL	0.1452 mL	0.2904 mL	0.7260 mL
	100 mM	0.0232 mL	0.1162 mL	0.2323 mL	0.5808 mL

Keywords

Roniciclib

2 Cited Publications

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Roniciclib

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Publications Citing Use of MedChemExpress (MCE) Roniciclib

Ver todos los productos específicos de isoformas CDK

Actividad biológica

Chemical Information

Publications (2)

Solvente y solubilidad

Protocolo

Pureza y Documentación

Referencias

Help & FAQs

Complete Stock Solution Preparation Table

Roniciclib

Anti-COVID-19 Compound Library

Orally Active Compound Library

Anti-Breast Cancer Compound Library

Anti-Pancreatic Cancer Compound Library

Anti-Blood Cancer Compound Library

Cancer Stem Cells Compound Library

Serine/Threonine Kinase Inhibitor Library

Anti-Hematopathy Compound Library

Anti-Ovarian Cancer Compound Library

Multi-Target Compound Library

Bioactive Compound Library Max

MCE Bioactive Compound Library

Drug Repurposing Compound Library Plus

Clinical Compound Library Plus

Bioactive Compound Library

Anti-Brain Cancer Compound Library

Protein Kinase Compound Library

Cell Proliferation Compound Library

High-Throughput Bioactive Compound Library

Posttranslational Modification Library

High-Efficiency Gene Editing Compound Library

Cell Cycle/DNA Damage Compound Library

Kinase Inhibitor Library

Anti-Cancer Compound Library

Clinical Compound Library

Anti-Aging Compound Library

Drug Repurposing Compound Library

Publications Citing Use of MedChemExpress (MCE) Roniciclib

Ver todos los productos específicos de isoformas CDK

Actividad biológica

Chemical Information

Publications (2)

Solvente y solubilidad

Protocolo

Pureza y Documentación

Referencias

Help & FAQs

Complete Stock Solution Preparation Table

Roniciclib Related Classifications

HY-13914 Related Classifications