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

Quality Segment

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

It looks like we've run into a problem, but you can still download Certificates of Analysis from our Documents section.

If you need assistance, please contact Customer Support

Already Own This Product?

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

Visit the Document Library