Art. -Nr.: HY-103712B

Samuraciclib hydrochloride dihydrate

(Synonyms: CT7001 hydrochloride dihydrate; ICEC0942 hydrochloride dihydrate)

12 Cited Publications

Kundenbewertung

Based on 12 publication(s) in Google Scholar

Samuraciclib (CT7001) hydrochloride hydrate is a potent, selective, ATP-competitive and orally active CDK7 inhibitor, with an IC₅₀ of 41 nM. Samuraciclib hydrochloride hydrate displays 45-, 15-, 230- and 30-fold selectivity over CDK1, CDK2 (IC₅₀ of 578 nM), CDK5 and CDK9, respectively. Samuraciclib hydrochloride hydrate inhibits the growth of breast cancer cell lines with GI₅₀ values between 0.2-0.3 μM. Samuraciclib hydrochloride hydrate has anti-tumor effects.

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Reinheit: 99.90%
Formel: C₂₂H₃₀N₆O.(2.5HCl).(2H₂O)
Molecular Weight:521.70

Speicherung:

4°C, stored under nitrogen, away from moisture

* In solvent : -80°C, 6 months; -20°C, 1 month (stored under nitrogen, away from moisture)

Samuraciclib hydrochloride dihydrate Chemical Structure

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Top Publications Citing

Use of MCE Products

Fluorescent Dye

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

Biologische Aktivität
- Beschreibung
- IC₅₀ & Target
- In Vitro
- In Vivo
- Clinical Trial
Chemical Information
Publications (12)
Lösungsmittel & Löslichkeit
- In Vitro
- In Vivo
Reinheit & Dokumentation
Verweise
Help & FAQs
Classifications
Bioz

Biologische Aktivität

Beschreibung

IC₅₀ & Target^[1]^[2]

CDK7

41 nM (IC₅₀)

CDK2

578 nM (IC₅₀)

CDK1

1.8 μM (IC₅₀)

CDK4

49 μM (IC₅₀)

CDK5

9.4 μM (IC₅₀)

CDK6

31 μM (IC₅₀)

CDK9

1.2 μM (IC₅₀)

Alle CDK Isoform-spezifische Produkte anzeigen :

In Vitro

Samuraciclib hydrochloride hydrate (ICEC0942; 0-10 μM; 24 hours; HCT116 cells) treatment promotes cell apoptosis^[1].
Samuraciclib hydrochloride hydrate (ICEC0942; 0-10 μM; 24 hours; HCT116 cells) treatment induces cell cycle arrest^[1].
Samuraciclib hydrochloride hydrate (ICEC0942; 0-10 μM; 0-24 hours; HCT116 cells) treatment inhibits the phosphorylation of PolII CTD in a dose and time dependent manner in HCT116 colon cancer cells. Samuraciclib trihydrochloride also inhibits phosphorylation of CDK1, CDK2 and retinoblastoma^[1].
Samuraciclib (ICEC0942) hydrochloride hydrate inhibits the growth of MCF7, T47D, MDA-MB-231, HS578T, MDA-MB-468, MCF10A and HMEC cells with GI₅₀ values of 0.18 μM, 0.32 μM, 0. 33 μM, 0.21 μM, 0.22 μM, 0.67 μM and 1.25 μM, respectively^[1].

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

Apoptosis Analysis^[1]

Cell Line:

HCT116 cells
Concentration:

0 µM, 0.1 µM, 1 µM and 10 µM
Incubation Time:

24 hours
Result:

Induced caspase 3/7 and demonstrated PARP cleavage.

Cell Cycle Analysis^[1]

Cell Line:

HCT116 cells
Concentration:

0 µM, 0.01 µM, 0.1 µM, 1 µM and 10 µM
Incubation Time:

24 hours
Result:

Showed accumulation of cells in G2/M.

Western Blot Analysis^[1]

Cell Line:

HCT116 cells
Concentration:

0 µM, 0.01 µM, 0.1 µM, 1 µM and 10 µM
Incubation Time:

0 hour, 4 hours, 8 hours, 16 hours or 24 hours
Result:

PolII CTD phosphorylation was inhibited in a dose and time dependent manner in HCT116 colon cancer cells.

In Vivo

Samuraciclib (ICEC0942; 100 mg/kg; oral gavage; daily; for 14 days; female nu/nu-BALB/c athymic nude mice) hydrochloride hydrate treatment inhibits tumor growth by 60% at day 14, and is accompanied by highly significant reductions in PolII Ser2 and Ser5 phosphorylation in PBMCs and in tumors^[1].
The combination of Samuraciclib (ICEC0942) hydrochloride hydrate and ICI 47699 treatment shows complete growth arrest of estrogen receptor (ER)-positive tumor xenografts^[1].

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

Animal Model:

Female nu/nu-BALB/c athymic nude mice (7-week old) with MCF7 cells^[1]
Dosage:

100 mg/kg
Administration:

Oral gavage; daily; for 14 days
Result:

At day 14, tumor growth was inhibited by 60%.

Clinical Trial

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

Chemical Information

Appearance Solid
Molecular Weight 521.70
Formel C₂₂H₃₀N₆O.(2.5HCl).(2H₂O)
Color White to light yellow
SMILES

O[C@H]1CNCC[C@@H]1CNC2=NC3=C(C(C)C)C=NN3C(NCC4=CC=CC=C4)=C2.Cl.O.O.[2.5]
Synonyms

CT7001 hydrochloride dihydrate; ICEC0942 hydrochloride dihydrate
Versand

Room temperature in continental US; may vary elsewhere.
Speicherung

4°C, stored under nitrogen, away from moisture

* In solvent : -80°C, 6 months; -20°C, 1 month (stored under nitrogen, away from moisture)

Publications (12)

All In Vivo Efficacy StudyCell Proliferation/Viability AssayWBRT-PCR

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Journal Impact Factor

Signal Transduct Target Ther

CDK7-targeted therapy effectively disrupts cell cycle progression and oncogenic signaling in head and neck cancer. [Abstract]

2025 Nov 6;10(1):363. PMID: 41193441
Adv Sci (Weinh)

Dual Inhibition of CDK4/6 and CDK7 Suppresses Triple-Negative Breast Cancer Progression via Epigenetic Modulation of SREBP1-Regulated Cholesterol Metabolism. [Abstract]

2024 Dec 10:e2413103. PMID: 39656925
Cell Death Dis

CDK7 inhibitor THZ1 inhibits MCL1 synthesis and drives cholangiocarcinoma apoptosis in combination with BCL2/BCL-XL inhibitor ABT-263. [Abstract]

2019 Aug 9;10(8):602. PMID: 31399555

Samuraciclib hydrochloride dihydrate purchased from MedChemExpress. Usage Cited in: Cell Death Dis. 2019 Aug 9;10(8):602. [Abstract]

HuCCT1 and HuH28 cells were treated with a novel CDK7 inhibitor Samuraciclib hydrochloride (ICEC0942) at different concentrations for 72 h. Cell viability was measured by CCK-8 assay.

Samuraciclib hydrochloride dihydrate purchased from MedChemExpress. Usage Cited in: Cell Death Dis. 2019 Aug 9;10(8):602. [Abstract]

HuCCT1 and HuH28 cells were exposed to Samuraciclib hydrochloride (ICEC0942) at indicated concentrations for 24 h. RNP2, RNP2 phosphorylation and MCL1 expression were analyzed by western blotting. ICEC0942 caused a dose-dependent reduction of phosphorylation of RNP2 at S2, S5, and S7.
Clin Cancer Res

Selective CDK7 inhibition suppresses cell cycle progression and MYC signaling while enhancing apoptosis in therapy-resistant estrogen receptor positive breast cancer. [Abstract]

2024 May 1;30(9):1889-1905. PMID: 38381406

Samuraciclib hydrochloride dihydrate purchased from MedChemExpress. Usage Cited in: Clin Cancer Res. 2024 May 1;30(9):1889-1905. [Abstract]

Tumor growth of ER-mutant PDX1526 in presence of vehicle, fulvestrant, Samuraciclib hydrochloride (samura) (30 mg/kg; P.O.; once daily), and fulvestrant + Samuraciclib hydrochloride (Ful+samura) for 28 days (mixed modelling with Tukey multiple comparisons test). Only significant P values are denoted.
Proc Natl Acad Sci U S A

CDK7 inhibition suppresses aberrant hedgehog pathway and overcomes resistance to smoothened antagonists. [Abstract]

2019 Jun 25;116(26):12986-12995. PMID: 31182587

Samuraciclib hydrochloride dihydrate purchased from MedChemExpress. Usage Cited in: Proc Natl Acad Sci U S A. 2019 Jun 25;116(26):12986-12995. [Abstract]

Dose–response curves of Hh-driven tumor lines and control cells in response to clinical trial used CDK7i compound Samuraciclib hydrochloride (CT7001). Cells were plated in 96-well plate in triplicate and treated with CT7001 at indicated concentrations for 72 h before cell viabilities were assessed. The results showed that CT7001 exhibited more potent inhibitory effect against Hh-driven tumor lines (IC₅₀ ranging from ∼300 to 800 nM) compared with normal control neural cells (IC₅₀ ranging from ∼1,300 to 2,100 nM).

Samuraciclib hydrochloride dihydrate purchased from MedChemExpress. Usage Cited in: Proc Natl Acad Sci U S A. 2019 Jun 25;116(26):12986-12995. [Abstract]

Immunoblot detecting phosphorylation levels at Ser2, Ser5, Ser7 of RNAPII C-terminal domain as well as Cdk7 and total RNAPII from Hh-driven cancer cell lines treated with Samuraciclib hydrochloride (CT7001) at indicated concentrations for 8 h. An anti–β-tubulin immunoblot is shown as loading control. CT7001 treatment induced dose-dependent reduction of phosphorylation at S2, S5, and S7 of RNAPII CTD.

Samuraciclib hydrochloride dihydrate purchased from MedChemExpress. Usage Cited in: Proc Natl Acad Sci U S A. 2019 Jun 25;116(26):12986-12995. [Abstract]

qRT-PCR analysis of Gli1 and Gli2 in SmoWT-MB and SmoD477G-MB cells, as well as Gli1 in A673 and ATRT-03 cells. Cells were treated with DMSO or Samuraciclib hydrochloride (CT7001) at indicated concentrations for 8 h.
EMBO J

Resistance to CDK7 inhibitors directed by acquired mutation of a conserved residue in cancer cells. [Abstract]

2025 Sep 8. PMID: 40921851
Int J Mol Sci

Cyclin-Dependent Kinases (CDKs) and the Human Cytomegalovirus-Encoded CDK Ortholog pUL97 Represent Highly Attractive Targets for Synergistic Drug Combinations. [Abstract]

2022 Feb 24;23(5):2493. PMID: 35269635
mBio

Functional insight into cyclin-dependent kinase (CDK)7 via chemical inhibition of the priority fungal pathogen Cryptococcus neoformans. [Abstract]

2025 Dec 10;16(12):e0289825. PMID: 41171060
Structure

Protein engineering enables a soakable crystal form of human CDK7 primed for high-throughput crystallography and structure-based drug design. [Abstract]

2024 Jun 9:S0969-2126(24)00188-6. PMID: 38870939
J Cancer Res Clin Oncol

Castration-resistant prostate cancer cells are dependent on the high activity of CDK7. [Abstract]

2023 Jul;149(8):5255-5263. PMID: 36401094

Samuraciclib hydrochloride dihydrate purchased from MedChemExpress. Usage Cited in: J Cancer Res Clin Oncol. 2023 Jul;149(8):5255-5263. [Abstract]

Colony-formation assay. Samuraciclib (5, 10, 20, 50, 100 nM; 7 days) signifcantly inhibits the colony-formation ability of the two CRPC models (C4-2 and 22RV1).
Biochem Biophys Res Commun

Interaction of CDK12 with NXF1 is a new node for the linking mechanism between transcription and transportation of mRNA. [Abstract]

2024 Aug 28:735:150608. PMID: 39270556
Res Sq

2024 Jul 29.

Lösungsmittel & Löslichkeit

In Vitro:

DMSO : 100 mg/mL (191.68 mM; Need ultrasonic; Hygroscopic DMSO has a significant impact on the solubility of product, please use newly opened DMSO)

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

1.9168 mL

9.5841 mL

19.1681 mL

5 mM

0.3834 mL

1.9168 mL

3.8336 mL

10 mM

0.1917 mL

0.9584 mL

1.9168 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, 6 months; -20°C, 1 month (stored under nitrogen, away from moisture). When stored at -80°C, please use it within 6 months. When stored at -20°C, please use it within 1 month.

Molaritätsrechner

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

Mass Mass

Konzentration Konzentration

Volumen Volumen

Molecular Weight Molecular Weight

Verdünnungsrechner

Konzentration _{(Stammlösung)} × Volumen _{(Stammlösung)} = Konzentration _{(Ziellösung)} × Volumen _{(Ziellösung)}

Konzentration _{(Stammlösung)} Konzentration _{(Stammlösung)}

Volumen _{(Stammlösung)} Volumen _{(Stammlösung)}

Konzentration _{(Ziellösung)} Konzentration _{(Ziellösung)}

Volumen _{(Ziellösung)} Volumen _{(Ziellösung)}

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: ≥ 2.5 mg/mL (4.79 mM); Clear solution

This protocol yields a clear solution of ≥ 2.5 mg/mL (saturation unknown).

Taking 1 mL working solution as an example, add 100 μL DMSO stock solution (25.0 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: ≥ 2.5 mg/mL (4.79 mM); Clear solution

This protocol yields a clear solution of ≥ 2.5 mg/mL (saturation unknown).

Taking 1 mL working solution as an example, add 100 μL DMSO stock solution (25.0 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: 2.5 mg/mL (4.79 mM); Suspended solution; Need ultrasonic

This protocol yields a suspended solution of 2.5 mg/mL. Suspended solution can be used for oral and intraperitoneal injection.

Taking 1 mL working solution as an example, add 100 μL DMSO stock solution (25.0 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

Reinheit & Dokumentation

Select Batch:

Reinheit: 99.98%

Assay: 99.98%

ee.: 99.98%

Data Sheet (284 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)
Handling Instructions (2659 KB)

Verweise

[1]. Patel H, et al. ICEC0942, an Orally Bioavailable Selective Inhibitor of CDK7 for Cancer Treatment. Mol Cancer Ther. 2018 Jun;17(6):1156-1166. [Content Brief]

[2]. Hazel P, et al. Inhibitor Selectivity for Cyclin-Dependent Kinase 7: A Structural, Thermodynamic, and Modelling Study. ChemMedChem. 2017 Mar 7;12(5):372-380. [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

Optional Solvent	Concentration Solvent Mass	1 mg	5 mg	10 mg	25 mg
DMSO	1 mM	1.9168 mL	9.5841 mL	19.1681 mL	47.9203 mL
	5 mM	0.3834 mL	1.9168 mL	3.8336 mL	9.5841 mL
	10 mM	0.1917 mL	0.9584 mL	1.9168 mL	4.7920 mL
	15 mM	0.1278 mL	0.6389 mL	1.2779 mL	3.1947 mL
	20 mM	0.0958 mL	0.4792 mL	0.9584 mL	2.3960 mL
	25 mM	0.0767 mL	0.3834 mL	0.7667 mL	1.9168 mL
	30 mM	0.0639 mL	0.3195 mL	0.6389 mL	1.5973 mL
	40 mM	0.0479 mL	0.2396 mL	0.4792 mL	1.1980 mL
	50 mM	0.0383 mL	0.1917 mL	0.3834 mL	0.9584 mL
	60 mM	0.0319 mL	0.1597 mL	0.3195 mL	0.7987 mL
	80 mM	0.0240 mL	0.1198 mL	0.2396 mL	0.5990 mL
	100 mM	0.0192 mL	0.0958 mL	0.1917 mL	0.4792 mL

Keywords

Samuraciclib hydrochloride dihydrate

12 Cited Publications

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Samuraciclib hydrochloride dihydrate

Apoptosis 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

Orally Active Compound Library

Anti-Breast Cancer Compound Library

Anti-Pancreatic Cancer Compound Library

Anti-Blood Cancer Compound Library

Cancer Stem Cells Compound Library

Heterocyclic Compound Library

Highly Selective Inhibitors Library

Highly Selective Activators Library

Cell Death Library

Serine/Threonine Kinase Inhibitor Library

Anti-Hematopathy Compound Library

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Bioactive Compound Library

Anti-Brain Cancer Compound Library

Protein Kinase Compound Library

Non-Alcoholic Fatty Liver Disease (NAFLD) Compound Library

Cell Proliferation Compound Library

High-Throughput Bioactive Compound Library

High-Efficiency Gene Editing Compound Library

Publications Citing Use of MedChemExpress (MCE) Samuraciclib hydrochloride dihydrate

Alle CDK Isoform-spezifische Produkte anzeigen

Biologische Aktivität

Chemical Information

Publications (12)

Lösungsmittel & Löslichkeit

Reinheit & Dokumentation

Verweise

Help & FAQs

Complete Stock Solution Preparation Table

Samuraciclib hydrochloride dihydrate Related Classifications

HY-103712B Related Classifications