ML364 | CAS#1991986-30-1 | USP2 inhibitor

ML364
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WARNING: This product is for research use only, not for human or veterinary use.

MedKoo CAT#: 407457

CAS#: 1991986-30-1

Description: ML364 is a small molecule inhibitor of the deubiquitinase USP2 with potential anticancer activity. ML364 has an IC50 of 1.1 μm in a biochemical assay using an internally quenched fluorescent di-ubiquitin substrate. Direct binding of ML364 to USP2 was demonstrated using microscale thermophoresis. ML364 induced an increase in cellular cyclin D1 degradation and caused cell cycle arrest as shown in Western blottings and flow cytometry assays utilizing both Mino and HCT116 cancer cell lines.

Chemical Structure

ML364

CAS# 1991986-30-1

Product data Instruction

Theoretical Analysis

MedKoo Cat#: 407457
Name: ML364
CAS#: 1991986-30-1
Chemical Formula: C24H18F3N3O3S2
Exact Mass: 517.07
Molecular Weight: 517.541
Elemental Analysis: C, 55.70; H, 3.51; F, 11.01; N, 8.12; O, 9.27; S, 12.39

Price and Availability

Size	Price	Availability
50mg	USD 450
100mg	USD 750	2 Weeks
200mg	USD 1250	2 Weeks
500mg	USD 2650	2 Weeks
1g	USD 3750	2 Weeks
2g	USD 6250	2 Weeks
Bulk inquiry Welcome, Customer: Please do not inquire quote if your intended use is for a patient since our products are for research use and for chemical synthesis use, not for human use . For in-stock products, we listed price in the web page. You may inquire prices for which sizes were not listed. If no price is listed, this means the product is not in stock at the moment, which may be available via custom synthesis. For cost-effective reason, minimum order of 1g is requested (typically very expensive). The lead time is usually 2-4 months. Quote of less than 1g will not be provided. MedKoo may not offer quote for below reasons: (1) current available synthetic method appears to be extremely expensive which is obviously not affordable to most customers; (2) Key raw material to make the product is temporally not available; (3) DEA controlled substances; (4) the product is under patent protection in customer’s country.

Synonym: ML364; ML 364; ML-364.

IUPAC/Chemical Name: 2-[(4-Methylphenyl)sulfonylamino]-N-(4-phenyl-1,3-thiazol-2-yl)-4-(trifluoromethyl)benzamide

InChi Key: QZUGMNXETPARLI-UHFFFAOYSA-N

InChi Code: InChI=1S/C24H18F3N3O3S2/c1-15-7-10-18(11-8-15)35(32,33)30-20-13-17(24(25,26)27)9-12-19(20)22(31)29-23-28-21(14-34-23)16-5-3-2-4-6-16/h2-14,30H,1H3,(H,28,29,31)

SMILES Code: O=C(NC1=NC(C2=CC=CC=C2)=CS1)C3=CC=C(C(F)(F)F)C=C3NS(=O)(C4=CC=C(C)C=C4)=O

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

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

More Info:

Product Data:

Product Data

Instruction:

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Biological target:	ML364 is a selective ubiquitin specific peptidase 2 (USP2) inhibitor (IC50=1.1 μM).
In vitro activity:	Treatment with this dose of ML364 for 5 days caused > 70% decrease in the incorporation of BrdU to the cells; thus, ML364 decreased the proliferation of C2C12 cells (Fig. 7B). On the other hand, treatment with ML364 for 8 h also decreased the intracellular level of ATP to 64.9% of vehicle‐treated cells (Fig. 7C). Moreover, treatment with ML364 markedly decreased the potential of the mitochondrial membrane in C2C12 cells (0.37‐fold difference vs. that of vehicle‐treated cells, P < 0.001; Fig. 7D). Reference: Physiol Rep. 2019 Jul;7(14):e14193. https://pubmed.ncbi.nlm.nih.gov/31353872/
In vivo activity:	In the P. aeruginosa PAO1 or the CRPA 16-2 infection mouse model, ML364 treatment could significantly improve the survival rate from 0% to 70% or from 30% to 90%, respectively. The survival rates of mice infected with S. aureus ATCC 29213 or MRSA 08-50 could be increased from 20% to 50% or even from 10% to 70%, by the administration of ML364 (Figure 5C). In Figure 5D, ML364 was able to significantly reduce the bacterial loads in the organs of mice (p ≤ 0.01), when the mice were systemically infected with CRPA 16-2 or MRSA 08-50. Reference: Front Microbiol. 2022 Dec 22;13:980217. https://pubmed.ncbi.nlm.nih.gov/36619997/

Solubility Data

	Solvent	Max Conc. mg/mL	Max Conc. mM
Solubility
	DMF	30.0	57.97
	DMSO	37.7	72.78
	DMSO:PBS (pH 7.2) (1:2)	0.3	0.64
	Ethanol	22.5	43.47

Preparing Stock Solutions

The following data is based on the product molecular weight 517.54 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.

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. Hashimoto M, Saito N, Ohta H, Yamamoto K, Tashiro A, Nakazawa K, Inanami O, Kitamura H. Inhibition of ubiquitin-specific protease 2 causes accumulation of reactive oxygen species, mitochondria dysfunction, and intracellular ATP decrement in C2C12 myoblasts. Physiol Rep. 2019 Jul;7(14):e14193. doi: 10.14814/phy2.14193. PMID: 31353872; PMCID: PMC6661303. 2. Davis MI, Pragani R, Fox JT, Shen M, Parmar K, Gaudiano EF, Liu L, Tanega C, McGee L, Hall MD, McKnight C, Shinn P, Nelson H, Chattopadhyay D, D'Andrea AD, Auld DS, DeLucas LJ, Li Z, Boxer MB, Simeonov A. Small Molecule Inhibition of the Ubiquitin-specific Protease USP2 Accelerates cyclin D1 Degradation and Leads to Cell Cycle Arrest in Colorectal Cancer and Mantle Cell Lymphoma Models. J Biol Chem. 2016 Nov 18;291(47):24628-24640. doi: 10.1074/jbc.M116.738567. Epub 2016 Sep 28. PMID: 27681596; PMCID: PMC5114414. 3. Zhang Y, Dong L, Sun L, Hu X, Wang X, Nie T, Li X, Wang P, Pang P, Pang J, Lu X, Yao K, You X. ML364 exerts the broad-spectrum antivirulence effect by interfering with the bacterial quorum sensing system. Front Microbiol. 2022 Dec 22;13:980217. doi: 10.3389/fmicb.2022.980217. PMID: 36619997; PMCID: PMC9813848. 4. Hashimoto M, Fujimoto M, Konno K, Lee ML, Yamada Y, Yamashita K, Toda C, Tomura M, Watanabe M, Inanami O, Kitamura H. Ubiquitin-Specific Protease 2 in the Ventromedial Hypothalamus Modifies Blood Glucose Levels by Controlling Sympathetic Nervous Activation. J Neurosci. 2022 Jun 8;42(23):4607-4618. doi: 10.1523/JNEUROSCI.2504-21.2022. Epub 2022 May 3. PMID: 35504726; PMCID: PMC9186793.
In vitro protocol:	1. Hashimoto M, Saito N, Ohta H, Yamamoto K, Tashiro A, Nakazawa K, Inanami O, Kitamura H. Inhibition of ubiquitin-specific protease 2 causes accumulation of reactive oxygen species, mitochondria dysfunction, and intracellular ATP decrement in C2C12 myoblasts. Physiol Rep. 2019 Jul;7(14):e14193. doi: 10.14814/phy2.14193. PMID: 31353872; PMCID: PMC6661303. 2. Davis MI, Pragani R, Fox JT, Shen M, Parmar K, Gaudiano EF, Liu L, Tanega C, McGee L, Hall MD, McKnight C, Shinn P, Nelson H, Chattopadhyay D, D'Andrea AD, Auld DS, DeLucas LJ, Li Z, Boxer MB, Simeonov A. Small Molecule Inhibition of the Ubiquitin-specific Protease USP2 Accelerates cyclin D1 Degradation and Leads to Cell Cycle Arrest in Colorectal Cancer and Mantle Cell Lymphoma Models. J Biol Chem. 2016 Nov 18;291(47):24628-24640. doi: 10.1074/jbc.M116.738567. Epub 2016 Sep 28. PMID: 27681596; PMCID: PMC5114414.
In vivo protocol:	1. Zhang Y, Dong L, Sun L, Hu X, Wang X, Nie T, Li X, Wang P, Pang P, Pang J, Lu X, Yao K, You X. ML364 exerts the broad-spectrum antivirulence effect by interfering with the bacterial quorum sensing system. Front Microbiol. 2022 Dec 22;13:980217. doi: 10.3389/fmicb.2022.980217. PMID: 36619997; PMCID: PMC9813848. 2. Hashimoto M, Fujimoto M, Konno K, Lee ML, Yamada Y, Yamashita K, Toda C, Tomura M, Watanabe M, Inanami O, Kitamura H. Ubiquitin-Specific Protease 2 in the Ventromedial Hypothalamus Modifies Blood Glucose Levels by Controlling Sympathetic Nervous Activation. J Neurosci. 2022 Jun 8;42(23):4607-4618. doi: 10.1523/JNEUROSCI.2504-21.2022. Epub 2022 May 3. PMID: 35504726; PMCID: PMC9186793.

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1: Davis MI, Pragani R, Fox JT, Shen M, Parmar K, Gaudiano EF, Liu L, Tanega C,
McGee L, Hall MD, McKnight C, Shinn P, Nelson H, Chattopadhyay D, D'Andrea AD,
Auld DS, DeLucas LJ, Li Z, Boxer MB, Simeonov A. Small Molecule Inhibition of the
Ubiquitin-specific Protease USP2 Accelerates cyclin D1 Degradation and Leads to
Cell Cycle Arrest in Colorectal Cancer and Mantle Cell Lymphoma Models. J Biol
Chem. 2016 Nov 18;291(47):24628-24640. Epub 2016 Sep 28. PubMed PMID: 27681596;
PubMed Central PMCID: PMC5114414.

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