MS023 free base
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MedKoo CAT#: 407274

CAS#: 1831110-54-3 (free base)

Description: MS023 is a Potent, Selective, and Cell-Active Inhibitor of Human Type I Protein Arginine Methyltransferases. MS023 displayed high potency for type I PRMTs including PRMT1, -3, -4, -6, and -8 but was completely inactive against type II and type III PRMTs, protein lysine methyltransferases and DNA methyltransferases. MS023 is a useful chemical tool for investigating the role of type I PRMTs in health and disease.


Chemical Structure

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MS023 free base
CAS# 1831110-54-3 (free base)

Theoretical Analysis

MedKoo Cat#: 407274
Name: MS023 free base
CAS#: 1831110-54-3 (free base)
Chemical Formula: C17H25N3O
Exact Mass: 287.1998
Molecular Weight: 287.407
Elemental Analysis: C, 71.04; H, 8.77; N, 14.62; O, 5.57

Price and Availability

Size Price Availability Quantity
10.0mg USD 150.0 Ready to ship
25.0mg USD 250.0 Ready to ship
50.0mg USD 450.0 Ready to ship
100.0mg USD 750.0 Ready to ship
200.0mg USD 1250.0 Ready to ship
500.0mg USD 2150.0 Ready to ship
1.0g USD 3650.0 Ready to ship
2.0g USD 5950.0 Ready to ship
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Related CAS #: 1831110-54-3 (free base)   1992047-64-9 (2HCl)   2108631-19-0 (3HCl)    

Synonym: MS023; MS-023; MS 023.

IUPAC/Chemical Name: N1-((4-(4-isopropoxyphenyl)-1H-pyrrol-3-yl)methyl)-N1-methylethane-1,2-diamine

InChi Key: FMTVWAGUJRUAKE-UHFFFAOYSA-N

InChi Code: InChI=1S/C17H25N3O/c1-13(2)21-16-6-4-14(5-7-16)17-11-19-10-15(17)12-20(3)9-8-18/h4-7,10-11,13,19H,8-9,12,18H2,1-3H3

SMILES Code: CC(C)OC1=CC=C(C2=CNC=C2CN(C)CCN)C=C1

Appearance: Solid powder

Purity: >98% (or refer to the Certificate of Analysis)

Shipping Condition: Shipped under ambient temperature as non-hazardous chemical. This product is stable enough for a few weeks during ordinary shipping and time spent in Customs.

Storage Condition: Dry, dark and at 0 - 4 C for short term (days to weeks) or -20 C for long term (months to years).

Solubility: Soluble in DMSO, not in water

Shelf Life: >2 years if stored properly

Drug Formulation: This drug may be formulated in DMSO

Stock Solution Storage: 0 - 4 C for short term (days to weeks), or -20 C for long term (months).

HS Tariff Code: 2934.99.9001

Biological target: MS023 is a potent, selective, and cell-active inhibitor of human type I protein arginine methyltransferases (PRMTs) inhibitor, with IC50s of 30, 119, 83, 4 and 5 nM for PRMT1, PRMT3, PRMT4, PRMT6, and PRMT8, respectively.
In vitro activity: Entinostat was toxic for normal cells, while its effect on colon cancer cells was stronger (Growth Inhibition of 50% (GI50) was 8.3 µM and 1.2 µM, respectively). The most pronounced ALP-inducing hit was PRMT type 1 inhibitor MS023. Figure 2a shows that MS023 moderately increased ALP activity in comparison to entinostat (e.g. 5-fold increase versus about 30-fold increase respectively at 2.5 µM). Effective concentration of 50% (EC50) of MS023 was 5.8 µM, and it significantly delays HT-29 cell proliferation (GI50 was 2.3 µM). Importantly, MS023 had no effect on either ALP activity or proliferation of CCD-841 cells. Interestingly, MS023 reduced cell growth in four colon cancer cell lines, previously reported as irresponsive to SB treatment25: HCT-116, Colo-205, SW620, and HCT-15 (Table1). This suggests that MS023 effect was not cell line specific. Following formation of established spheroids (5 days), MS023, entinostat or vehicle (DMSO) were added and growth was monitored during 6 additional days. In order to detect dead cells, propidium iodide (PI) staining of the spheroids was perofmed shortly before imaging (Fig. 2b,c). While entinostat rapidly induced cytotoxic effect, MS023 showed reduced growth, but low toxicity. Thus, PRMT type 1 inhibition induces effects associated with cell differentiation in both monolayer and 3D culture. Reference: Sci Rep. 2020; 10: 20030. https://www.ncbi.nlm.nih.gov/pmc/articles/PMC7676271/
In vivo activity: MS023 efficacy in-vivo was examined using HT-29 xenograft model in nude mice. In order to calculate desirable frequency of MS023 injection, a preliminary experiment was performed, where cell growth medium containing MS023 was replaced 5 days later with a fresh one containing or not a second dose of MS023. The absence of MS023 led to restoration of the proliferative potential, while addition of a second dose kept the cells in low-proliferating status (data not shown). Therefore, the animals received 2 doses of the compound/week. The treatment started when tumors reached 6–7 mm diameter. MS023 treatment significantly delayed tumor growth (Fig. 8a) without any signs of toxicity. This data shows that MS023 was able to reduce tumor growth and proliferation in vivo through differentiation of malignant cells, demonstrating a tractable model of pharmacological manipulation of colon cancer differentiation, with clinical implications. Reference: Sci Rep. 2020; 10: 20030. https://www.ncbi.nlm.nih.gov/pmc/articles/PMC7676271/

Solubility Data

Solvent Max Conc. mg/mL Max Conc. mM
Solubility
DMSO 62.0 215.72
H2O 39.0 135.7

Preparing Stock Solutions

The following data is based on the product molecular weight 287.407 Batch specific molecular weights may vary from batch to batch due to the degree of hydration, which will affect the solvent volumes required to prepare stock solutions.

Recalculate based on batch purity %
Concentration / Solvent Volume / Mass 1 mg 5 mg 10 mg
1 mM 1.15 mL 5.76 mL 11.51 mL
5 mM 0.23 mL 1.15 mL 2.3 mL
10 mM 0.12 mL 0.58 mL 1.15 mL
50 mM 0.02 mL 0.12 mL 0.23 mL
Formulation protocol: 1. Plotnikov A, Kozer N, Cohen G, Carvalho S, Duberstein S, Almog O, Solmesky LJ, Shurrush KA, Babaev I, Benjamin S, Gilad S, Kupervaser M, Levin Y, Gershovits M, Ben-Avraham D, Barr HM. PRMT1 inhibition induces differentiation of colon cancer cells. Sci Rep. 2020 Nov 18;10(1):20030. doi: 10.1038/s41598-020-77028-8. PMID: 33208761; PMCID: PMC7676271. 2. Cai T, Yu Z, Wang Z, Liang C, Richard S. Arginine methylation of SARS-Cov-2 nucleocapsid protein regulates RNA binding, its ability to suppress stress granule formation, and viral replication. J Biol Chem. 2021 May 23;297(1):100821. doi: 10.1016/j.jbc.2021.100821. Epub ahead of print. PMID: 34029587; PMCID: PMC8141346. 3. Zhu Y, He X, Lin YC, Dong H, Zhang L, Chen X, Wang Z, Shen Y, Li M, Wang H, Sun J, Nguyen LX, Zhang H, Jiang W, Yang Y, Chen J, Müschen M, Chen CW, Konopleva MY, Sun W, Jin J, Carlesso N, Marcucci G, Luo Y, Li L. Targeting PRMT1-mediated FLT3 methylation disrupts maintenance of MLL-rearranged acute lymphoblastic leukemia. Blood. 2019 Oct 10;134(15):1257-1268. doi: 10.1182/blood.2019002457. PMID: 31395602; PMCID: PMC6788006
In vitro protocol: 1. Plotnikov A, Kozer N, Cohen G, Carvalho S, Duberstein S, Almog O, Solmesky LJ, Shurrush KA, Babaev I, Benjamin S, Gilad S, Kupervaser M, Levin Y, Gershovits M, Ben-Avraham D, Barr HM. PRMT1 inhibition induces differentiation of colon cancer cells. Sci Rep. 2020 Nov 18;10(1):20030. doi: 10.1038/s41598-020-77028-8. PMID: 33208761; PMCID: PMC7676271. 2. Cai T, Yu Z, Wang Z, Liang C, Richard S. Arginine methylation of SARS-Cov-2 nucleocapsid protein regulates RNA binding, its ability to suppress stress granule formation, and viral replication. J Biol Chem. 2021 May 23;297(1):100821. doi: 10.1016/j.jbc.2021.100821. Epub ahead of print. PMID: 34029587; PMCID: PMC8141346.
In vivo protocol: 1. Plotnikov A, Kozer N, Cohen G, Carvalho S, Duberstein S, Almog O, Solmesky LJ, Shurrush KA, Babaev I, Benjamin S, Gilad S, Kupervaser M, Levin Y, Gershovits M, Ben-Avraham D, Barr HM. PRMT1 inhibition induces differentiation of colon cancer cells. Sci Rep. 2020 Nov 18;10(1):20030. doi: 10.1038/s41598-020-77028-8. PMID: 33208761; PMCID: PMC7676271. 2. Zhu Y, He X, Lin YC, Dong H, Zhang L, Chen X, Wang Z, Shen Y, Li M, Wang H, Sun J, Nguyen LX, Zhang H, Jiang W, Yang Y, Chen J, Müschen M, Chen CW, Konopleva MY, Sun W, Jin J, Carlesso N, Marcucci G, Luo Y, Li L. Targeting PRMT1-mediated FLT3 methylation disrupts maintenance of MLL-rearranged acute lymphoblastic leukemia. Blood. 2019 Oct 10;134(15):1257-1268. doi: 10.1182/blood.2019002457. PMID: 31395602; PMCID: PMC6788006.

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1: Eram MS, Shen Y, Szewczyk MM, Wu H, Senisterra G, Li F, Butler KV, Kaniskan
HÜ, Speed BA, Dela Seña C, Dong A, Zeng H, Schapira M, Brown PJ, Arrowsmith CH,
Barsyte-Lovejoy D, Liu J, Vedadi M, Jin J. A Potent, Selective, and Cell-Active
Inhibitor of Human Type I Protein Arginine Methyltransferases. ACS Chem Biol.
2015 Dec 8. [Epub ahead of print] PubMed PMID: 26598975.