Key Documents

View All Documentation

SML1265

Bosentan hydrate

Name: Bosentan hydrate
Brand: SIGMA

≥98% (HPLC), endothelin receptor antagonist, powder

Synonym(s):

4-(1,1-Dimethylethyl)-N-[6-(2-hydroxyethoxy)-5-(2-methoxyphenoxy)[2,2′-bipyrimidin]-4-yl]benzenesulfonamide monohydrate, 4-Tert-butyl-N- [6-(2-hydroxyethoxy)-5-(2-methoxy-phenoxy)-[2,2´]-bipyrimidin-4-yl]-benzenesulfonamide monohydrate, Ro-47-0203

Select a Size

Change View

About This Item

Empirical Formula (Hill Notation):

C₂₇H₂₉N₅O₆S · H₂O

CAS Number:

157212-55-0

Molecular Weight:

569.63

UNSPSC Code:

12352200

PubChem Substance ID:

329825756

NACRES:

NA.77

MDL number:

MFCD09751188

Assay:

≥98% (HPLC)

Form:

powder

Quality level:

100

Technical Service

Need help? Our team of experienced scientists is here for you.

Let Us Assist

Product Name

Bosentan hydrate, ≥98% (HPLC)

Quality Level

100

assay

≥98% (HPLC)

form

powder

color

white to beige

solubility

DMSO: 5 mg/mL, clear (warmed)

storage temp.

2-8°C

SMILES string

O=S(C1=CC=C(C(C)(C)C)C=C1)(NC2=NC(C3=NC=CC=N3)=NC(OCCO)=C2OC4=CC=CC=C4OC)=O.O

InChI

1S/C27H29N5O6S.H2O/c1-27(2,3)18-10-12-19(13-11-18)39(34,35)32-23-22(38-21-9-6-5-8-20(21)36-4)26(37-17-16-33)31-25(30-23)24-28-14-7-15-29-24;/h5-15,33H,16-17H2,1-4H3,(H,30,31,32);1H2

InChI key

SXTRWVVIEPWAKM-UHFFFAOYSA-N

Related Categories

Bioactive Small Molecules

Application

Bosentan hydrate has been used in cell viability assay. It has also been used as a positive control for calcium transient analysis.

Biochem/physiol Actions

Bosentan is found to decrease deposition of collagen in the lungs, which has been observed in bleomycin-induced pulmonary fibrosis rat model.

Bosentan is a endothelin receptor antagonist; antihypertensive; pulmonary hypertension treatment.

Bosentan is an endothelin receptor antagonist. Endothelin is a potent vasoconstrictor, making antagonists of clinical interest for the treatment of conditions associated with vasospasm, such as subarachnoid hemorrhage (SAH) and hypertension. Bosentan is a dual endothelin receptor antagonist effective in the treatment of pulmonary arterial hypertension (PAH), the first of the class to make it to market. Bosentan is an orally available, competitive antagonist of both the ETA and ETB receptor subtypes with a Ki of 4.7 nM for ETA and a Ki of 95 nM for ETB.

pictograms

GHS08

signalword

Warning

hcodes

H361fd,H412

pcodes

P202 - P273 - P280 - P308 + P313 - P405 - P501

Hazard Classifications

Aquatic Chronic 3 - Repr. 2

Storage Class

11 - Combustible Solids

wgk

WGK 2

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

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

Molecular phenotyping combines molecular information, biological relevance, and patient data to improve productivity of early drug discovery.

Drawnel F M, et al.

Cell Chemical Biology, 24(5), 624-634 (2017)

In Vitro Hepatic Uptake in Human and Monkey Hepatocytes in the Presence and Absence of Serum Protein and Its In Vitro to In Vivo Extrapolation.

Xiaomin Liang et al.

Drug metabolism and disposition: the biological fate of chemicals, 48(12), 1283-1292 (2020-10-11)

It is well documented that human hepatic clearance based on in vitro metabolism or transporter assays systematically resulted in underprediction; therefore, large empirical scalars are often needed in either static or physiologically based pharmacokinetic (PBPK) models to accurately predict human

BUILD-1: a randomized placebo-controlled trial of bosentan in idiopathic pulmonary fibrosis.

King Jr T E, et al.

American Journal of Respiratory and Critical Care Medicine, 177(1), 75-81 (2008)

Endothelin-1 receptor blockade as new possible therapeutic approach in multiple myeloma.

Russignan A, et al.

British Journal of Haematology, 178(5), 781-793 (2017)

A negative feedback loop between fibroadipogenic progenitors and muscle fibres involving endothelin promotes human muscle fibrosis.

Mona Bensalah et al.

Journal of cachexia, sarcopenia and muscle, 13(3), 1771-1784 (2022-03-24)

Fibrosis is defined as an excessive accumulation of extracellular matrix (ECM) components. Many organs are subjected to fibrosis including the lung, liver, heart, skin, kidney, and muscle. Muscle fibrosis occurs in response to trauma, aging, or dystrophies and impairs muscle

View All Related Papers

Global Trade Item Number

SKU	GTIN
SML1265-50MG	04061832900339
SML1265-10MG	04061832900322

Our team of scientists has experience in all areas of research including Life Science, Material Science, Chemical Synthesis, Chromatography, Analytical and many others.

Contact Technical Service