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PZ0013

Sigma-Aldrich

Nelfinavir mesylate hydrate

≥98% (HPLC)

Synonym(s):

3S,4aS,8aS)-N-(1,1-Dimethylethyl)decahydro-2-[(2R,3R)-2-hydroxy-3-[(3-hydroxy-2-methylbenzoyl)amino]-4-(phenylthio)butyl]-3-isoquinolinecarboxamide methanesulfonate, AG-1343, Nelfinavir methanesulfonate hydrate

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About This Item

Empirical Formula (Hill Notation):
C32H45N3O4S · CH3SO3H · xH2O
CAS Number:
159989-65-8
Molecular Weight:
663.89 (anhydrous basis)
UNSPSC Code:
12352200
PubChem Substance ID:
329823682
NACRES:
NA.77

Assay

≥98% (HPLC)

form

powder

color

white to off-white

solubility

DMSO: ≥2 mg/mL

storage temp.

2-8°C

SMILES string

CC1=C(O)C=CC=C1C(N[C@@H](CSC2=CC=CC=C2)[C@H](O)CN3[C@H](C(NC(C)(C)C)=O)C[C@@]4([H])[C@@](CCCC4)([H])C3)=O.[CH2]S(O)(=O)=O

InChI

1S/C32H45N3O4S.CH4O3S/c1-21-25(15-10-16-28(21)36)30(38)33-26(20-40-24-13-6-5-7-14-24)29(37)19-35-18-23-12-9-8-11-22(23)17-27(35)31(39)34-32(2,3)4;1-5(2,3)4/h5-7,10,13-16,22-23,26-27,29,36-37H,8-9,11-12,17-20H2,1-4H3,(H,33,38)(H,34,39);1H3,(H,2,3,4)/t22-,23+,26-,27-,29+;/m0./s1

InChI key

NQHXCOAXSHGTIA-SKXNDZRYSA-N

Application

Nelfinavir mesylate hydrate has been used to test its therapeutic effect on pulmonary fibrosis in patients with systemic sclerosis (SSc). It has also been used in combination with bortezomib to selectively kill tuberous sclerosis complex 2 (TSC2)-deficient tumor cells.

Biochem/physiol Actions

Nelfinavir mesylate hydrate, also known as AG1343, is used as a therapeutic agent for acquired immunodeficiency syndrome (AIDS). It acts as an antifibrotic agent and is used to treat pulmonary fibrosis in patients with systemic sclerosis (SSc). In addition, nelfinavir mesylate hydrate reduces inflammation by activating protein phosphatase 2 (PP-2) and blocking mitogen-activated protein kinases (MAPK) signaling in macrophages. It also stimulate autophagy and exhibit anti-cancer property.
Nelfinavir is a HIV protease inhibitor; antiretroviral; and anti-tumor agent.

Features and Benefits

This compound is a featured product for ADME Tox research. Click here to discover more featured ADME Tox products. Learn more about bioactive small molecules for other areas of research at sigma.com/discover-bsm.

Storage Class Code

11 - Combustible Solids

WGK

WGK 3

Flash Point(F)

Not applicable

Flash Point(C)

Not applicable

Certificates of Analysis (COA)

Search for Certificates of Analysis (COA) by entering the products Lot/Batch Number. Lot and Batch Numbers can be found on a product’s label following the words ‘Lot’ or ‘Batch’.

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Karin Nielsen-Saines et al.
The New England journal of medicine, 366(25), 2368-2379 (2012-06-22)
The safety and efficacy of adding antiretroviral drugs to standard zidovudine prophylaxis in infants of mothers with human immunodeficiency virus (HIV) infection who did not receive antenatal antiretroviral therapy (ART) because of late identification are unclear. We evaluated three ART
The Antiretroviral Agent Nelfinavir Mesylate: A Potential Therapy for Systemic Sclerosis
Sanchez C, et al.
Arthritis & Rheumatology (Hoboken, N.J.), 70(1), 115-126 (2018)
Nancy L Sheehan et al.
Molecules (Basel, Switzerland), 17(1), 688-702 (2012-01-14)
β-Carotene supplements are often taken by individuals living with HIV-1. Contradictory results from in vitro studies suggest that β-carotene may inhibit or induce cytochrome P450 enzymes and transporters. The study objective was to investigate the effect of β-carotene on the
Simmy Thomas et al.
Cancer letters, 325(1), 63-71 (2012-06-06)
The cellular processes of autophagy and endoplasmic reticulum stress (ERS) appear to be interconnected, and it has been proposed that autophagy may serve to reduce ERS via removal of terminally misfolded and aggregated proteins. Conversely, there are indications that blockage
Joong Sup Shim et al.
Journal of the National Cancer Institute, 104(20), 1576-1590 (2012-10-09)
Human epidermal growth factor receptor 2 (HER2)-positive breast cancer is highly aggressive and has higher risk of recurrence than HER2-negative cancer. With few treatment options available, new drug targets specific for HER2-positive breast cancer are needed. We conducted a pharmacological
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