Ro 46-8443 - Moligand™,≥98% , Antagonist of ET B receptor, CAS No.175556-12-4, Antagonist of ET B receptor

CAS: 175556-12-4 Cat. No.: R613247 Formule: C₃₁H₃₅N₃O₈S Poids moléculaire: 609.7 PubChem CID: 5312146

GRADE & PURITY Moligand™, ≥98%

Synonyms

Ro468443

Storage

Store at 2-8°C

Shipped In

Wet ice

Vue d’ensemble

RO 46-8443 is the first non-peptide endothelin ETB receptor selective antagonist. RO 46-8443 displays up to 2000-fold selectivity for ETB receptors both in terms of binding inhibitory potency and functional inhibition.

Specifications

Synonymes

Ro468443

Spécifications et pureté

Moligand™,≥98%

Conditions de stockage de stockage

Store at 2-8°C

Expédié en

Wet ice

Ce produit nécessite l'expédition en chaîne froide. Les services terrestres et autres services économiques ne sont pas disponibles.

Grade

Moligand™

Type d'action

ANTAGONIST

Mécanisme d'action

Antagonist of ET B receptor

Pureté

≥98%

Noms et identifiants

Sourires canoniques

CC(C)(C)C1=CC=C(C=C1)S(=O)(=O)NC2=C(C(=NC(=N2)C3=CC=C(C=C3)OC)OCC(CO)O)OC4=CC=CC=C4OC

IUPAC Name

4-tert-butyl-N-[6-(2,3-dihydroxypropoxy)-5-(2-methoxyphenoxy)-2-(4-methoxyphenyl)pyrimidin-4-yl]benzenesulfonamide

InChIKey

DRIHNVYRUGBDHI-UHFFFAOYSA-N

INCHI

1S/C31H35N3O8S/c1-31(2,3)21-12-16-24(17-13-21)43(37,38)34-29-27(42-26-9-7-6-8-25(26)40-5)30(41-19-22(36)18-35)33-28(32-29)20-10-14-23(39-4)15-11-20/h6-17,22,35-36H,18-19H2,1-5H3,(H,32,33,34)

Isomères SMILES

CC(C)(C)C1=CC=C(C=C1)S(=O)(=O)NC2=C(C(=NC(=N2)C3=CC=C(C=C3)OC)OC[C@@H](CO)O)OC4=CC=CC=C4OC

PubChem CID

5312146

Termes d'entrée MeSH

4-tert-butyl-N-(6-(2,3-dihydroxypropoxy)-5-(2-methoxyphenoxy)-2-(4-methoxyphenyl)pyrimidin-4-yl)benzenesulfonamide;Ro 46-8443;Ro-46-8443

Poids moléculaire

609.7

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic oxygen compounds
    • Classe Organooxygen compounds
      • Subclass Ethers

• Kingdom: Organic compounds
• Superclass: Organic oxygen compounds
• Classe: Organooxygen compounds
• Subclass: Ethers
• Intermediate Tree Nodes: Not available
• Direct Parent: Diarylethers
• Alternative Parents: Benzenesulfonamides Phenylpropanes Benzenesulfonyl compounds Anisoles Phenoxy compounds Methoxybenzenes Alkyl aryl ethers Pyrimidines and pyrimidine derivatives Organosulfonamides Imidolactams Heteroaromatic compounds Aminosulfonyl compounds Secondary alcohols 1,2-diols Azacyclic compounds Hydrocarbon derivatives Primary alcohols Organonitrogen compounds Organic oxides
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Diaryl ether - Benzenesulfonamide - Benzenesulfonyl group - Phenylpropane - Phenoxy compound - Anisole - Methoxybenzene - Phenol ether - Alkyl aryl ether - Monocyclic benzene moiety - Imidolactam - Benzenoid - Pyrimidine - Organosulfonic acid amide - Heteroaromatic compound - Aminosulfonyl compound - Sulfonyl - Organic sulfonic acid or derivatives - Organosulfonic acid or derivatives - 1,2-diol - Secondary alcohol - Organoheterocyclic compound - Azacycle - Alcohol - Organosulfur compound - Organonitrogen compound - Hydrocarbon derivative - Primary alcohol - Organic nitrogen compound - Organic oxide - Aromatic heteromonocyclic compound
• Description: This compound belongs to the class of organic compounds known as diarylethers. These are organic compounds containing the dialkyl ether functional group, with the formula ROR', where R and R' are aryl groups.
• External Descriptors: Not available

Data sources

1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.

DOI: 10.1186/s13321-016-0174-y

Cibles associées (humaines)

EDNRB Tclin Endothelin receptor type B (2 Activities)

Discover Target: EDNRB

Activity Type	Activity Value -log(M)	Mechanism of Action	Activity Reference	Publications (PubMed IDs)

EDNRB Tclin Endothelin receptor ET-B (1928 Activities)

Discover Target: EDNRB

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Mécanismes d'action

Propriétés chimiques et physiques

• Sensibilité: Moisture sensitive
• Poids moléculaire: 609.700 g/mol
• XLogP3: 4.900
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 11
• Rotatable Bond Count: 13
• Exact Mass: 609.214 Da
• Monoisotopic Mass: 609.214 Da
• Topological Polar Surface Area: 158.000 Ų
• Heavy Atom Count: 43
• Formal Charge: 0
• Complexity: 928.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 1
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 1

Foire aux questions

What is the purity of this product?

This product is supplied at ≥98% purity (chemical assay). Lot-specific values are stated on the Certificate of Analysis.

What is Moligand??

Moligand? is one of Aladdin Scientific's premium product lines, formulated for high-purity applications across multiple workflows. Compared to standard grades in the same workflow, Moligand? products typically offer tighter specifications, more rigorous QC, and stronger lot-to-lot consistency.

How should this product be stored?

Store at 2–8 °C. Refrigerated storage is required to maintain the specified shelf life.

How is this product shipped?

This product ships chilled on wet ice. Unpack on arrival and transfer it to the storage condition stated above.

What are the CAS number, molecular formula and molecular weight?

The CAS Number is 175556-12-4, the molecular formula is C31H35N3O8S, and the molecular weight is 609.7 g/mol. InChIKey DRIHNVYRUGBDHI-UHFFFAOYSA-N.

What documentation is provided?

Available product documentation, including Certificates of Analysis (COA), Safety Data Sheets (SDS), and specification sheets, is shown in the product document area. Document availability and access follow the current site policy.