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Merck

SML2561

ML162

≥98% (HPLC), glutathione peroxidase inhibitor, powder

Synonym(s):

α-[(2-Chloroacetyl)(3-chloro-4-methoxyphenyl)amino]-N-(2-phenylethyl)-2-thiopheneacetamide, 2-Chloro-N-(3-chloro-4-methoxyphenyl)-N-(2-oxo-2-(phenethylamino)-1-(thiophen-2-yl)ethyl)acetamide, BRD-5421, BRD5421, CID 3689413, ML 162, ML-162, Molecular Libraries 162

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About This Item

Empirical Formula (Hill Notation):
C23H22Cl2N2O3S
CAS Number:
1035072-16-2
Molecular Weight:
477.40
UNSPSC Code:
12352200
NACRES:
NA.77
MDL number:
MFCD03450805

Product Name

ML162, ≥98% (HPLC)

SMILES string

[s]1c(ccc1)C(N(c3cc(c(cc3)OC)Cl)C(=O)CCl)C(=O)NCCc2ccccc2

InChI

1S/C23H22Cl2N2O3S/c1-30-19-10-9-17(14-18(19)25)27(21(28)15-24)22(20-8-5-13-31-20)23(29)26-12-11-16-6-3-2-4-7-16/h2-10,13-14,22H,11-12,15H2,1H3,(H,26,29)

InChI key

UNVKYJSNMVDZJE-UHFFFAOYSA-N

assay

≥98% (HPLC)

form

powder

color

white to very dark brown

solubility

DMSO: 2 mg/mL, clear

storage temp.

2-8°C

Related Categories

Biochem/physiol Actions

Covalent phospholipid glutathione peroxidase (GPX4; GSHPx-4; PHGPx; snGPx; snPHGPx) inhibitor that induces ferroptosis.
ML162 is a small molecule that induces ferroptosis via covalent inhibition of cellular phospholipid glutathione peroxidase (GPX-4; GPX4; GSHPx-4; PHGPx; snGPx; snPHGPx). Synthetic lethality studies in cancer cultures identify contributing factors such as HRas(G12V) expression and fumarate hydratase (FH) deletion to ML162 sensitivity (IC50 = 25 nM & 35 nM, respectively, in BJeLR-HRas(G12V) & UOK262-FH-/- cultures).

Storage Class

11 - Combustible Solids

wgk

WGK 3

flash_point_f

Not applicable

flash_point_c

Not applicable

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Certificates of Analysis (COA)

Lot/Batch Number
0000224211
0000224211
0000167977
0000167977
0000119328

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Emilie Logie et al.
International journal of molecular sciences, 22(22) (2021-11-28)
Disease relapse and therapy resistance remain key challenges in treating multiple myeloma. Underlying (epi-)mutational events can promote myelomagenesis and contribute to multi-drug and apoptosis resistance. Therefore, compounds inducing ferroptosis, a form of iron and lipid peroxidation-regulated cell death, are appealing
Kenichi Shimada et al.
Cell chemical biology, 23(2), 225-235 (2016-02-09)
Precision medicine in oncology requires not only identification of cancer-associated mutations but also effective drugs for each cancer genotype, which is still a largely unsolved problem. One approach for the latter challenge has been large-scale testing of small molecules in
Vasanthi S Viswanathan et al.
Nature, 547(7664), 453-457 (2017-07-06)
Plasticity of the cell state has been proposed to drive resistance to multiple classes of cancer therapies, thereby limiting their effectiveness. A high-mesenchymal cell state observed in human tumours and cancer cell lines has been associated with resistance to multiple
Michel Weïwer et al.
Bioorganic & medicinal chemistry letters, 22(4), 1822-1826 (2012-02-03)
Synthetic lethal screening is a chemical biology approach to identify small molecules that selectively kill oncogene-expressing cell lines with the goal of identifying pathways that provide specific targets against cancer cells. We performed a high-throughput screen of 303,282 compounds from
Amrita Basu et al.
Cell, 154(5), 1151-1161 (2013-09-03)
The high rate of clinical response to protein-kinase-targeting drugs matched to cancer patients with specific genomic alterations has prompted efforts to use cancer cell line (CCL) profiling to identify additional biomarkers of small-molecule sensitivities. We have quantitatively measured the sensitivity
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