MM3122

Category	SARS-CoV
CAS	2574390-27-3
Description	MM3122 is a selective type II transmembrane serine protease (TMPRSS2) inhibitor with an IC50 value of 0.34 nM. MM3122 effectively blocks TMPRSS2, thereby inhibiting the entry of SARS-CoV-2 and MERS-CoV into human cells.

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Synonyms	MM3122\|Ac-GQFR-kbt\|GTPL11533\|EX-A6891\|compound 4 [Mahoney et al, 2021]\|MM-3122\|(2S)-N-[(1S)-1-{[(2S)-1-(1,3-benzothiazol-2-yl)-5-carbamimidamido-1-oxopentan-2-yl]carbamoyl}-2-phenylethyl]-2-(2-acetamidoacetamido)pentanediamide\|2574390-27-3
Molecular Weight	665.76
Molecular Formula	C31H39N9O6S
Canonical SMILES	CC(=O)NCC(=O)NC(CCC(=O)N)C(=O)NC(CC1=CC=CC=C1)C(=O)NC(CCCN=C(N)N)C(=O)C2=NC3=CC=CC=C3S2
Purity	≥98% (HPLC)
Solubility	DMSO:90 mg/mL (135.2 mM), Need ultrasonic
Appearance	Solid powder
Storage	Powder: -20°C: 3 years 4°C: 2 years In solvent: -80°C: 6 months -20°C: 1 month
Complexity	1140
Exact Mass	665.27440117
In Vitro	MM3122 (0-1 μM) has inhibitory activity against HGFA, matriptase, hepsin and thrombin with the IC50 values of 32, 0.31, 0.19 and more than 20 nM, respectively. MM3122 (0.1-100 μM) inhibits SARS-CoV-2 calu-3, VSV-SARS CoV-2 chimera calu-3 and MERS VSV pseudotype calu-3 with the EC50 values of 74, 0.43 and 0.87 nM, respectively.
In Vivo	MM3122 (i.p., 0-100 mg/kg, daily, 7 days) has no adverse effects, no weight loss or changes in harvested organs (liver, spleen and kidney) compared to controls in NOD-scid IL2Rgnull (NSG) mice. MM3122 (i.p., 16.7 mg/kg, once) has a half-life of 8.6 hours in plasma and 7.5 hours in lung of NSG mice.
Target	SARS-CoV
XLogP3-AA	0.2