Bosentan (hydrate)

CAT: 0013-GTR19172016-01Size: 25 mgDry Ice: NoHazardous: No

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CAT#:0013-GTR19172016-01Size:25 mg

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Description

Bosentan hydrate is a dual endothelin receptor antagonist that competitively inhibits both ET-A and ET-B receptors. It is widely used in research to study the role of endothelin-1 in cardiovascular diseases, pulmonary hypertension, and related pathways in both cellular and animal models.

CAS Number

157212-55-0

Product Name Alternative

Ro 47-0203, Inhibitor, ET-B, ET-A, Endothelin Receptor, EndothelinReceptor, inhibit, Bosentan, Bosentan (hydrate), Bosentan Hydrate, Actelion, Benzenesulfonamide

Field of Research

Pharmacology & Drug Discovery

Purity

99.31% (May vary between batches)

Solubility

H2O:< 1 mg/mL (insoluble or slightly soluble) ; DMSO:93 mg/mL (163.26 mM) ; Ethanol:2 mg/mL (3.51 mM) ;10% DMSO+40% PEG300+5% Tween 80+45% Saline:3.3 mg/mL (5.79 mM)

Smiles

O.COC1=CC=CC=C1OC1=C (OCCO) N=C (N=C1NS (=O) (=O) C1=CC=C (C=C1) C (C) (C) C) C1=NC=CC=N1

Molecular Formula

C27H29N5O6S·H2O

Molecular Weight

569.63

Storage Conditions

-20°C

Notes

For research use only.

Chemical Information

Bosentan Monohydrate

Bosentan hydrate is a hydrate. It contains a bosentan.

CAS Number	157212-55-0
PubChem CID	185462
IUPAC Name	4-tert-butyl-N-[6-(2-hydroxyethoxy)-5-(2-methoxyphenoxy)-2-pyrimidin-2-ylpyrimidin-4-yl]benzenesulfonamide;hydrate
Molecular Formula	C27H31N5O7S
Molecular Weight	569.6
Topological Polar Surface Area	155
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	12
Rotatable Bond Count	11
Heavy Atom Count	40
Formal Charge	0
Complexity	839

SMILES

CC(C)(C)C1=CC=C(C=C1)S(=O)(=O)NC2=C(C(=NC(=N2)C3=NC=CC=N3)OCCO)OC4=CC=CC=C4OC.O

InChI

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

InChIKey

SXTRWVVIEPWAKM-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 157212-55-0

CID: 185462

Formula: C27H31N5O7S

MW: 569.6

Interactive 3D Structure

Loading 3D structure...

View on PubChem Raw 3D data

Computed Properties

Property	Value
Molecular Weight	569.6
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	12
Rotatable Bond Count	11
Exact Mass	569.19441952
Monoisotopic Mass	569.19441952
Topological Polar Surface Area	155 Å²
Heavy Atom Count	40
Formal Charge	0
Complexity	839
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	2
Compound Is Canonicalized	Yes

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Alternative Products

Catalog	Name
B1521-200	Bosentan Hydrate
BUP11727-01	Bosentan (hydrate)

Bosentan (hydrate)

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