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Cat. No.: HY-184653

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MS3-123

MS3-123 is an orally active PRMT1 inhibitor (IC₅₀ = 11.4 nM) that selectively targets the unique Cys119 residue within the SAM-binding pocket. MS3-123 covalently binds to PRMT1 through a time-dependent irreversible mechanism and exhibits high selectivity over other PRMT family members and other methyltransferases. MS3-123 inhibits breast cancer cell proliferation, migration and invasion, and induces cell cycle arrest and apoptosis. MS3-123 is useful for breast cancer research.

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화학식: C₁₅H₂₄BrClN₄O₃S
분자량:455.80

보관:

Please store the product under the recommended conditions in the Certificate of Analysis.

MS3-123 Chemical Structure

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Use of MCE Products

Fluorescent Dye

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

Biological Activity
- 제품 설명
- IC₅₀ & Target
- Cellular Effect
- In Vitro
- Parmacokinetics
- In Vivo
Chemical Information
순도&문서
References
Calculators
Help & FAQs
Classifications
Bioz

Biological Activity

제품 설명

IC₅₀ & Target^[1]

PRMT1

11.4 nM (IC₅₀)

PRMT3

1094.8 nM (IC₅₀)

PRMT4

327.1 nM (IC₅₀)

PRMT6

1052.4 nM (IC₅₀)

PRMT8

194.0 nM (IC₅₀)

All Histone Methyltransferase Isoforms :

Cellular Effect

Cell Line	Type	Value	Description	References
MCF-7/TAMR-1	IC50	4.40 μM	Exhibits antiproliferative activity against MCF-7 cells for 72 h. Exhibits antiproliferative activity against MCF-7 cells for 72 h.	42309962
MDA-MB-231	IC50	4.76 μM	Exhibits antiproliferative activity against MDA-MB-231 cells for 72 h. Exhibits antiproliferative activity against MDA-MB-231 cells for 72 h.	42309962

In Vitro

MS3-123 (Compound 17zh) shows potent inhibition against PRMT1 (IC₅₀ = 11.4 nM) with high selectivity over other PRMT family members (17 to 439 fold), labels only a limited set of off-target cysteines at 50 μM, and exhibits weak activity against multiple other methyltransferases (G9a, EHMT1, MLL1, SMYD2, SETD8, EZH2, SUV39H1) (IC₅₀ > 10 μM), demonstrating an excellent selectivity profile^[1].
MS3-123 covalently binds to PRMT1 through a time-dependent inhibition mechanism (KI = 1.52 × 10⁴ M^-1s^-1)^[1].
MS3-123 induces thermal stabilization of PRMT1 protein (ΔTm = 2.0°C)^[1].
MS3-123 (130 μM; 1 h) covalently modifies PRMT1 at Cys119, forming a covalent complex with a mass shift of +419.2 Da^[1].
The alkyne-functionalized probe of MS3-123 (100-260 μM; 1 h) effectively labels and pulls down PRMT1 protein in recombinant protein and MCF-7 cell lysates^[1].
MS3-123 (0.2-3 μM; 12-84 h) concentration- and time-dependently reduces H4R3me2a and total ADMA levels in MCF-7 and MDA-MB-231 cells, with IC₅₀ values of 0.78 μM and 0.56 μM for H4R3me2a reduction at 72 h, respectively; and significantly reduces EZH2 protein levels and AKT phosphorylation in MCF-7 cells^[1].
MS3-123 (72 h) exhibits antiproliferative activity against MCF-7 and MDA-MB-231 cells, with GI₅₀ values of 4.40 μM and 4.76 μM, respectively, and shows low toxicity against normal mammary epithelial MCF-10A cells (GI₅₀ > 60 μM)^[1].
MS3-123 (0.3-3 μM; 8-day treatment) dose-dependently inhibits colony formation in MCF-7 and MDA-MB-231 cells, with near-complete inhibition observed at 3 μM^[1].
MS3-123 (0.75 μM) in combination with Gemcitabine (HY-17026) reduces the GI₅₀ in MCF-7 cells from 3.03 μM to 0.75 μM, demonstrating a synergistic effect, with a similar trend observed in MDA-MB-231 cells^[1].
MS3-123 (3-6 μM; 24 h) significantly inhibits the migration of MCF-7 and MDA-MB-231 cells^[1].
MS3-123 (3-6 μM; 24 h) dose-dependently inhibits the invasion of MDA-MB-231 cells, with inhibition rates of approximately 35.0% and 57.4%, respectively^[1].
MS3-123 (2-4 μM; 72 h) dose-dependently inhibits the invasion of MCF-7 cells, with inhibition rates of approximately 47.9% and 70.1%, respectively^[1].
MS3-123 (6-12 μM; 24 h) dose-dependently induces S-phase cell cycle arrest in MCF-7 and MDA-MB-231 cells, characterized by a significant increase in the S-phase cell population and a corresponding decrease in the G0/G1 and G2/M phase cell populations^[1].
MS3-123 (15-25 μM; 48 h) dose-dependently induces apoptosis in MCF-7 and MDA-MB-231 cells^[1].
MS3-123 (1.25 μM; 0-45 min) shows a metabolic half-life of 62.1 minutes in human liver microsomes and exhibits no significant inhibition against major CYP450 enzymes (IC₅₀ > 50 μM)^[1].
MS3-123 (250 μM; 0-180 min) shows a half-life of 80.9 minutes in a GSH reactivity assay under physiological pH conditions, indicating low intrinsic reactivity^[1].
MS3-123 (1 μM; 5 h) exhibits a human plasma protein binding rate of 34.7% and a free fraction of 65^[1].

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

Western Blot Analysis^[1]

Cell Line:

MCF-7 and MDA-MB-231 cells
Concentration:

0.2, 0.4, 0.8, 1.5, and 3 μM
Incubation Time:

72 h
Result:

Results: Concentration-dependently reduced H4R3me2a and global ADMA levels; IC₅₀ values for H4R3me2a reduction were 0.78 μM (MCF-7) and 0.56 μM (MDA-MB-231).

Western Blot Analysis^[1]

Cell Line:

MCF-7 cells
Concentration:

3 μM
Incubation Time:

12, 24, 48, 72, and 84 h
Result:

Time-dependently reduced H4R3me2a and global ADMA levels.

Western Blot Analysis^[1]

Cell Line:

MCF-7 cells
Concentration:

0.2, 0.4, 0.8, 1.5, and 3 μM
Incubation Time:

48 h
Result:

Showed little or no effect on BAF155Rme2a (PRMT4 substrate) or H3R2me2a (PRMT6 substrate) levels. Did not affect global levels of SDMA or MMA.

Cell Migration Assay ^[1]

Cell Line:

MCF-7 and MDA-MB-231 cells
Concentration:

3 and 6 μM
Incubation Time:

24 h
Result:

Significantly inhibited cell migration at 3 and 6 μM.

Cell Invasion Assay^[1]

Cell Line:

MDA-MB-231 cells
Concentration:

3 and 6 μM
Incubation Time:

24 h
Result:

Dose-dependently inhibited cell invasion with inhibition rates of approximately 35.0% and 57.4%, respectively.

Cell Invasion Assay^[1]

Cell Line:

MCF-7 cells
Concentration:

2 and 4 μM
Incubation Time:

72 h
Result:

Dose-dependently inhibited cell invasion with inhibition rates of approximately 47.9% and 70.1%, respectively.

Cell Cycle Analysis^[1]

Cell Line:

MCF-7 and MDA-MB-231 cells
Concentration:

6 and 12 μM
Incubation Time:

24 h
Result:

Dose-dependently induced S-phase cell cycle arrest, accompanied by a decrease in G0/G1 and G2/M phase cell populations.

Apoptosis Analysis^[1]

Cell Line:

MCF-7 and MDA-MB-231 cells
Concentration:

12 and 25 μM
Incubation Time:

48 h
Result:

Dose-dependently induced apoptosis.

Parmacokinetics

Species	Dose	Route	T_1/2	T_max	C_max	AUC_0-t	MRT_0-t	CL	F
Mice^[1]	5 mg/kg	i.v.	0.33 h	0.08 h	372 ng/mL	175 ng·h/mL	0.34 h	30148 mL/h/kg	/
Mice^[1]	60 mg/kg	p.o.	1.53 h	0.33 h	696 ng/mL	850 ng·h/mL	1.28 h	/	40.3 %

In Vivo

MS3-123 (Compound 17zh) (100 mg/kg; oral gavage; once daily; for 19 continuous days) moderately suppresses tumor growth in the MDA-MB-231 xenograft BALB/c nude mouse model, reduces ADMA and H4R3me2a levels in tumor tissues, and shows favorable tolerability with no significant body-weight loss or major organ damage^[1].

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

Animal Model:

Female BALB/c nude mice (18-20 g) bearing subcutaneous MDA-MB-231 xenograft model (1.0 × 10⁶ cells inoculated in PBS; administration initiated when average tumor volume reached ~100 mm³)^[1].
Dosage:

100 mg/kg
Administration:

Oral gavage (i.g.); once daily; for 19 continuous days
Result:

Moderately suppressed tumor growth with a tumor growth inhibition (TGI) value of 52.3%.
Reduced ADMA and H4R3me2a protein levels in tumor tissues, confirming effective target engagement in vivo.
Caused no significant body-weight loss throughout the 19-day administration period.
Resulted in no significant differences in serum ALT, AST, or TBIL levels between the administration group and the vehicle group after 19 days of continuous administration, indicating no significant hepatotoxicity.
Caused no obvious organ damage in heart, liver, spleen, lung, or kidney based on histopathological analysis.

Chemical Information

분자량 455.80
화학식 C₁₅H₂₄BrClN₄O₃S
SMILES

ClCC(NCC1=CC(S(=O)(N2CCC(CC2)N(C)C)=O)=C(N1C)Br)=O
선적

Room temperature in continental US; may vary elsewhere.
보관

Please store the product under the recommended conditions in the Certificate of Analysis.

순도&문서

Handling Instructions (2659 KB)

References

[1]. Shao M, et al. Unique Cysteine-Directed Covalent Inhibition of PRMT1 Suppresses Breast Tumorigenesis. J Med Chem. 2026 Jul 9;69(13):15423-15457. [Content Brief]

Calculators

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Mass Mass

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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.

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100 mg

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Biological Activity
- 제품 설명
- IC₅₀ & Target
- In Vitro
- In Vivo
Chemical Information
순도&문서
References

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MS3-123

All Histone Methyltransferase Isoforms

Biological Activity

Chemical Information

순도&문서

References

Calculators

Help & FAQs

MS3-123 Related Classifications

HY-184653 Related Classifications