Skip to Content
Merck
CN

Key Documents

View All Documentation

PZ0013

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

Sign In to View Organizational & Contract Pricing.

Select a Size

Change View

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
Quality level:
100
Technical Service
Need help? Our team of experienced scientists is here for you.
Let Us Assist

Quality Level

100

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

11 - Combustible Solids

wgk

WGK 3

flash_point_f

Not applicable

flash_point_c

Not applicable

Choose from one of the most recent versions:

Certificates of Analysis (COA)

Lot/Batch Number
0000339837
0000339837
0000163011
0000163011
0000163012

Don't see the Right Version?

If you require a particular version, you can look up a specific certificate by the Lot or Batch number.

Search for a COA

Already Own This Product?

Find documentation for the products that you have recently purchased in the Document Library.

Visit the Document Library

Articles

Bioactive Molecules for Immunology Research

Bioactive small molecules for immune system signaling target identification/validation and antibiotics, antivirals, and antifungals offered.

Discover Bioactive Small Molecules for ADME/Tox

Discover Bioactive Small Molecules for ADME/Tox

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)
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
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
View All Related Papers

Global Trade Item Number

SKUGTIN
PZ0013-5MG04061832632421
PZ0013-25MG04061832632414