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Merck
CN

SML3242

MR6-31-2

≥98% (HPLC)

Synonym(s):

2-(4-Chlorobenzyl)benzo[d][1,2]selenazol-3(2H)-one, 2-[(4-Chlorophenyl)methyl]-1,2-benzisoselenazol-3(2H)-one

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About This Item

Empirical Formula (Hill Notation):
C14H10ClNOSe
CAS Number:
2524641-00-5
Molecular Weight:
322.65
UNSPSC Code:
12352107
NACRES:
NA.77

Key Documents

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Quality Level

100

Assay

≥98% (HPLC)

form

powder

color

white to beige

storage temp.

2-8°C

SMILES string

O=C1N(CC2=CC=C(Cl)C=C2)[Se]C3=CC=CC=C31

InChI

1S/C14H10ClNOSe/c15-11-7-5-10(6-8-11)9-16-14(17)12-3-1-2-4-13(12)18-16/h1-8H,9H2

InChI key

XZWKXIFLMYRVTK-UHFFFAOYSA-N

Related Categories

Biochem/physiol Actions

CNS penetrant potent inhibitor of SARS-CoV-2 Mpro that bind at the Mpro catalytic site
MR6-31-2, a CNS penetrant ebselen analog, is a potent inhibitor of SARS-CoV-2 Mpro that bind at the Mpro catalytic site. MR6-31-2 donates a selenium atom, forming a covalent bond and blocking the histidine-Cys catalytic dyad. It exhibits good neuroprotective effects and low cytotoxicity in cell-based and mouse models of motor neuron disease. MR6-31-2 covalently binds to A4V superoxide dismutase-1 (SOD1) and promotes its thermal stability.

Signal Word

Danger

Hazard Statements

H301 + H331,H373,H410

Hazard Classifications

Acute Tox. 3 Inhalation - Acute Tox. 3 Oral - Aquatic Acute 1 - Aquatic Chronic 1 - STOT RE 2

Storage Class Code

6.1C - Combustible acute toxic Cat.3 / toxic compounds or compounds which causing chronic effects

WGK

WGK 3

Regulatory Information

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Certificates of Analysis (COA)

Lot/Batch Number
0000156211
0000150363
0000150363

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Varunya Chantadul et al.
Communications biology, 3(1), 97-97 (2020-03-07)
Mutations to the gene encoding superoxide dismutase-1 (SOD1) were the first genetic elements discovered that cause motor neuron disease (MND). These mutations result in compromised SOD1 dimer stability, with one of the severest and most common mutations Ala4Val (A4V) displaying
Kangsa Amporndanai et al.
Nature communications, 12(1), 3061-3061 (2021-05-26)
The SARS-CoV-2 pandemic has triggered global efforts to develop therapeutics. The main protease of SARS-CoV-2 (Mpro), critical for viral replication, is a key target for therapeutic development. An organoselenium drug called ebselen has been demonstrated to have potent Mpro inhibition and
Kangsa Amporndanai et al.
Nature communications, 12(1), 3061-3061 (2021-05-26)
The SARS-CoV-2 pandemic has triggered global efforts to develop therapeutics. The main protease of SARS-CoV-2 (Mpro), critical for viral replication, is a key target for therapeutic development. An organoselenium drug called ebselen has been demonstrated to have potent Mpro inhibition and
Varunya Chantadul et al.
Communications biology, 3(1), 97-97 (2020-03-07)
Mutations to the gene encoding superoxide dismutase-1 (SOD1) were the first genetic elements discovered that cause motor neuron disease (MND). These mutations result in compromised SOD1 dimer stability, with one of the severest and most common mutations Ala4Val (A4V) displaying

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