Art. -Nr.: HY-125232

MS645

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MS645 is a bivalent BET bromodomains (BrD) inhibitor with a K_i of 18.4 nM for BRD4-BD1/BD2. MS645 spatially constrains bivalent inhibition of BRD4 BrDs resulting in a sustained repression of BRD4 transcriptional activity in solid-tumor cells.

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Reinheit: 98.0%
CAS. Nr.: 2250091-96-2
Formel: C₄₈H₅₄Cl₂N₁₀O₂S₂
Molecular Weight:938.04

Speicherung:

-20°C, stored under nitrogen

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

MS645 Chemical Structure

CAS. Nr.: 2250091-96-2

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Fluorescent Dye

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

Biologische Aktivität
- Beschreibung
- IC₅₀ & Target
- Cellular Effect
- In Vitro
Chemical Information
Publications (1)
Lösungsmittel & Löslichkeit
- In Vitro
- In Vivo
Reinheit & Dokumentation
Verweise
Help & FAQs
Classifications
Bioz

Biologische Aktivität

Beschreibung

IC₅₀ & Target^[1]

BRD4(BD1BD2)

18.4 nM (Ki)

Alle Epigenetic Reader Domain Isoform-spezifische Produkte anzeigen :

Cellular Effect

Cell Line	Type	Value	Description	References
BT-549	IC₅₀	6.8 nM Compound: 95; MS645	Anticancer activity against human BT-549 cells assessed as cell growth inhibition incubated for 4 to 10 days by MTT assay Anticancer activity against human BT-549 cells assessed as cell growth inhibition incubated for 4 to 10 days by MTT assay	[PMID: 33650861]
HCC1806	IC₅₀	19 nM Compound: 95; MS645	Anticancer activity against human HCC1806 cells assessed as cell growth inhibition incubated for 4 to 10 days by MTT assay Anticancer activity against human HCC1806 cells assessed as cell growth inhibition incubated for 4 to 10 days by MTT assay	[PMID: 33650861]
HCC38	IC₅₀	15 nM Compound: 95; MS645	Anticancer activity against human HCC38 cells assessed as cell growth inhibition incubated for 4 to 10 days by MTT assay Anticancer activity against human HCC38 cells assessed as cell growth inhibition incubated for 4 to 10 days by MTT assay	[PMID: 33650861]
Hs-578T	IC₅₀	4.1 nM Compound: 95; MS645	Anticancer activity against human Hs-578T cells assessed as cell growth inhibition incubated for 4 to 10 days by MTT assay Anticancer activity against human Hs-578T cells assessed as cell growth inhibition incubated for 4 to 10 days by MTT assay	[PMID: 33650861]
MDA-MB-231	IC₅₀	10.3 nM Compound: 95; MS645	Anticancer activity against human MDA-MB-231 cells assessed as cell growth inhibition incubated for 4 to 10 days by MTT assay Anticancer activity against human MDA-MB-231 cells assessed as cell growth inhibition incubated for 4 to 10 days by MTT assay	[PMID: 33650861]

In Vitro

MS645 has cell growth inhibitory effects on noncancer cell lines of mouse macrophage RAW cells and nontumorigenic breast epithelial MCF10A with IC₅₀s of 4.1 nM, 6.8 nM, 7.9 nM for triple-negative breast cancer (TNBC) cell lines HS5878T, BT549, and MCF 10A^[1].
? MS645 (15, 30, 60 nM) results in a dramatic reduction of c-Myc expression and an increase of p21, a tumor suppressor and cell-cycle inhibitor in HCC1806 cells^[1].

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

Chemical Information

CAS. Nr. 2250091-96-2
Appearance Solid
Molecular Weight 938.04
Formel C₄₈H₅₄Cl₂N₁₀O₂S₂
Color Light yellow to yellow
SMILES

O=C(NCCCCCCCCCCNC(C[C@H]1C2=NN=C(C)N2C3=C(C(C)=C(C)S3)C(C4=CC=C(Cl)C=C4)=N1)=O)C[C@H]5C6=NN=C(C)N6C7=C(C(C)=C(C)S7)C(C8=CC=C(Cl)C=C8)=N5
Versand

Room temperature in continental US; may vary elsewhere.
Speicherung

-20°C, stored under nitrogen

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

Publications (1)

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Journal Impact Factor

Cell

Regulation of inflammatory responses by pH-dependent transcriptional condensates. [Abstract]

2025 Oct 2;188(20):5632-5652.e25. PMID: 40680734

Lösungsmittel & Löslichkeit

In Vitro:

DMSO : 200 mg/mL (213.21 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

1.0661 mL

5.3303 mL

10.6605 mL

5 mM

0.2132 mL

1.0661 mL

2.1321 mL

10 mM

0.1066 mL

0.5330 mL

1.0661 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). 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: ≥ 5 mg/mL (5.33 mM); Clear solution

This protocol yields a clear solution of ≥ 5 mg/mL (saturation unknown).

Taking 1 mL working solution as an example, add 100 μL DMSO stock solution (50.0 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% Corn Oil

Solubility: ≥ 5 mg/mL (5.33 mM); Clear solution

This protocol yields a clear solution of ≥ 5 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 (50.0 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 (273 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]. Ren C, et al. Spatially constrained tandem bromodomain inhibition bolsters sustained repression of BRD4 transcriptional activity for TNBC cell growth.Proc Natl Acad Sci U S A. 2018 Jul 31;115(31):7949-7954. [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	1.0661 mL	5.3303 mL	10.6605 mL	26.6513 mL
	5 mM	0.2132 mL	1.0661 mL	2.1321 mL	5.3303 mL
	10 mM	0.1066 mL	0.5330 mL	1.0661 mL	2.6651 mL
	15 mM	0.0711 mL	0.3554 mL	0.7107 mL	1.7768 mL
	20 mM	0.0533 mL	0.2665 mL	0.5330 mL	1.3326 mL
	25 mM	0.0426 mL	0.2132 mL	0.4264 mL	1.0661 mL
	30 mM	0.0355 mL	0.1777 mL	0.3554 mL	0.8884 mL
	40 mM	0.0267 mL	0.1333 mL	0.2665 mL	0.6663 mL
	50 mM	0.0213 mL	0.1066 mL	0.2132 mL	0.5330 mL
	60 mM	0.0178 mL	0.0888 mL	0.1777 mL	0.4442 mL
	80 mM	0.0133 mL	0.0666 mL	0.1333 mL	0.3331 mL
	100 mM	0.0107 mL	0.0533 mL	0.1066 mL	0.2665 mL

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MS645

Epigenetics Compound Library

Histone Modification Research Compound Library

Anti-Cancer Compound Library

Anti-Breast Cancer Compound Library

Anti-Blood Cancer Compound Library

Heterocyclic Compound Library

Anti-Hematopathy Compound Library

Bioactive Compound Library Max

MCE Bioactive Compound Library

Bioactive Compound Library

High-Throughput Bioactive Compound Library

Publications Citing Use of MedChemExpress (MCE) MS645

Alle Epigenetic Reader Domain Isoform-spezifische Produkte anzeigen

Biologische Aktivität

Chemical Information

Publications (1)

Lösungsmittel & Löslichkeit

Reinheit & Dokumentation

Verweise

Help & FAQs

Complete Stock Solution Preparation Table

MS645

Epigenetics Compound Library

Histone Modification Research Compound Library

Anti-Cancer Compound Library

Anti-Breast Cancer Compound Library

Anti-Blood Cancer Compound Library

Heterocyclic Compound Library

Anti-Hematopathy Compound Library

Bioactive Compound Library Max

MCE Bioactive Compound Library

Bioactive Compound Library

High-Throughput Bioactive Compound Library

Publications Citing Use of MedChemExpress (MCE) MS645

Alle Epigenetic Reader Domain Isoform-spezifische Produkte anzeigen

Biologische Aktivität

Chemical Information

Publications (1)

Lösungsmittel & Löslichkeit

Reinheit & Dokumentation

Verweise

Help & FAQs

Complete Stock Solution Preparation Table

MS645 Related Classifications

HY-125232 Related Classifications