NMS-873
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MedKoo CAT#: 406458

CAS#: 1418013-75-8

Description: NMS-873 is a potent, allosteric and specific VCP inhibitor (also known as p97 inhibitor) with IC50 of 30 nM. NMS-873 activated the unfolded protein response, interfered with autophagy and induced cancer cell death. The consistent pattern of cancer cell killing by covalent and allosteric inhibitors provided critical validation of VCP as a cancer target.


Chemical Structure

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NMS-873
CAS# 1418013-75-8

Theoretical Analysis

MedKoo Cat#: 406458
Name: NMS-873
CAS#: 1418013-75-8
Chemical Formula: C27H28N4O3S2
Exact Mass: 520.16028
Molecular Weight: 520.67
Elemental Analysis: C, 62.28; H, 5.42; N, 10.76; O, 9.22; S, 12.32

Price and Availability

Size Price Availability Quantity
25.0mg USD 150.0 Same Day
50.0mg USD 250.0 Same Day
100.0mg USD 450.0 Same Day
200.0mg USD 850.0 Same Day
500.0mg USD 1950.0 Same Day
1.0g USD 2950.0 2 Weeks
2.0g USD 4650.0 2 Weeks
5.0g USD 7850.0 2 Weeks
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Synonym: NMS873, NMS-873, NMS 873

IUPAC/Chemical Name: 3-(3-(cyclopentylthio)-5-(((2-methyl-4'-(methylsulfonyl)-[1,1'-biphenyl]-4-yl)oxy)methyl)-4H-1,2,4-triazol-4-yl)pyridine.

InChi Key: UJGTUKMAJVCBIS-UHFFFAOYSA-N

InChi Code: InChI=1S/C27H28N4O3S2/c1-19-16-22(11-14-25(19)20-9-12-24(13-10-20)36(2,32)33)34-18-26-29-30-27(35-23-7-3-4-8-23)31(26)21-6-5-15-28-17-21/h5-6,9-17,23H,3-4,7-8,18H2,1-2H3

SMILES Code: O=S(C1=CC=C(C2=CC=C(OCC3=NN=C(SC4CCCC4)N3C5=CC=CN=C5)C=C2C)C=C1)(C)=O

Appearance: white 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: NMS-873 is a potent, selective allosteric VCP/p97 inhibitor with an IC50 value of 30 nM.
In vitro activity: As NMS-873 is a host-targeting antiviral, it is important to rule out the possibility that the antiviral activity of NMS-873 might be celltype dependent. For this, the antiviral activity of NMS-873 was tested in two human lung epithelial cell lines, A549 and BEAS-2B, as well as in human lung epithelial primary cells (Fig. 3). When A549 cells were infected with A/WSN/33 (H1N1) virus at a MOI of 0.01, NMS-873 significantly inhibited the viral replication at both 12 h p.i. and 24 h p.i. in a dose-dependent manner (Fig. 3D). The viral titer was significantly reduced 1.3–1.4 and 2.2–3.1 log10 units by 2 μM and 3 μM of NMS-873, respectively, while 2.1–2.5 log10 units of reduction was observed for oseltamivir (Fig. 3D). Of note, the highest drug concentration tested (3 μM) was not cytotoxic to A549 cells (Fig. 3A). For BEAS-2B and primary cells, a similar potent antiviral effect was observed (Fig. 3E and.3F). Taken together, these results confirmed the antiviral activity of NMS-873 in both human cell lines and primary cells and thus ruled out the possibility that the antiviral activity of NMS-873 is cell-type dependent. In this study, it was reported that NMS-873, a host p97 inhibitor, inhibits both influenza A and B viruses with low-nanomolar efficacy (Fig. 1 and Table 1). In conclusion, the broad-spectrum antiviral activity and novel mechanism of action of NMS-873 render it a promising antiviral drug candidate Reference: Eur J Pharm Sci. 2019 May 15; 133: 86–94. https://www.ncbi.nlm.nih.gov/pmc/articles/PMC6482079/
In vivo activity: TBD

Solubility Data

Solvent Max Conc. mg/mL Max Conc. mM
Solubility
DMSO 20.0 38.4

Preparing Stock Solutions

The following data is based on the product molecular weight 520.67 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. Zhang J, Hu Y, Hau R, Musharrafieh R, Ma C, Zhou X, Chen Y, Wang J. Identification of NMS-873, an allosteric and specific p97 inhibitor, as a broad antiviral against both influenza A and B viruses. Eur J Pharm Sci. 2019 May 15;133:86-94. doi: 10.1016/j.ejps.2019.03.020. Epub 2019 Mar 28. PMID: 30930289; PMCID: PMC6482079. 2. Bouwer MF, Hamilton KE, Jonker PB, Kuiper SR, Louters LL, Looyenga BD. NMS-873 functions as a dual inhibitor of mitochondrial oxidative phosphorylation. Biochimie. 2021 Jun;185:33-42. doi: 10.1016/j.biochi.2021.03.004. Epub 2021 Mar 13. PMID: 33727138; PMCID: PMC8119374.
In vitro protocol: 1. Zhang J, Hu Y, Hau R, Musharrafieh R, Ma C, Zhou X, Chen Y, Wang J. Identification of NMS-873, an allosteric and specific p97 inhibitor, as a broad antiviral against both influenza A and B viruses. Eur J Pharm Sci. 2019 May 15;133:86-94. doi: 10.1016/j.ejps.2019.03.020. Epub 2019 Mar 28. PMID: 30930289; PMCID: PMC6482079. 2. Bouwer MF, Hamilton KE, Jonker PB, Kuiper SR, Louters LL, Looyenga BD. NMS-873 functions as a dual inhibitor of mitochondrial oxidative phosphorylation. Biochimie. 2021 Jun;185:33-42. doi: 10.1016/j.biochi.2021.03.004. Epub 2021 Mar 13. PMID: 33727138; PMCID: PMC8119374.
In vivo protocol: TBD

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1: Magnaghi P, D'Alessio R, Valsasina B, Avanzi N, Rizzi S, Asa D, Gasparri F, Cozzi L, Cucchi U, Orrenius C, Polucci P, Ballinari D, Perrera C, Leone A, Cervi  G, Casale E, Xiao Y, Wong C, Anderson DJ, Galvani A, Donati D, O'Brien T, Jackson PK, Isacchi A. Covalent and allosteric inhibitors of the ATPase VCP/p97 induce cancer cell death. Nat Chem Biol. 2013 Sep;9(9):548-56. doi: 10.1038/nchembio.1313. Epub 2013 Jul 28. PubMed PMID: 23892893.

NMS-873

25.0mg / USD 150.0


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