RE 201 - Moligand™, ≥98% , Type-1 angiotensin II receptor antagonist, CAS No.254740-64-2, Type-1 angiotensin II receptor antagonist

CAS: 254740-64-2 Cat. No.: R340645 Formule: C₃₂H₄₀N₄O₅S Poids moléculaire: 592.75 Numéro CE: 839-064-7 PubChem CID: 10257882

GRADE & PURITY Moligand™, ≥98%

Synonyms

retrophin | BDBM50175523 | GN | Sparsentan [USAN] | sparsentanum | compound 7 (PMID 15634011) | esparsentan | IDI1_007881 | Sparsentan (USAN/INN) | AC-35179 | BCP23969 | EX-A3048 | Sparsentan(PS433540) | F77045 | Q27088845 | 9242RO5URM | AKOS040758741 | s

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Specifications

Synonymes

retrophin | BDBM50175523 | GN | Sparsentan [USAN] | sparsentanum | compound 7 (PMID 15634011) | esparsentan | IDI1_007881 | Sparsentan (USAN/INN) | AC-35179 | BCP23969 | EX-A3048 | Sparsentan(PS433540) | F77045 | Q27088845 | 9242RO5URM | AKOS040758741 | s

Spécifications et pureté

Moligand™, ≥98%

Conditions de stockage de stockage

Store at -20°C

Expédié en

Ice chest + Ice pads

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

Type-1 angiotensin II receptor antagonist

Pureté

≥98%

Propriétés du produit

ALogP

5

Noms et identifiants

Pubchem Sid

504765358

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/504765358

Sourires canoniques

CCCCC1=NC2(CCCC2)C(=O)N1CC3=CC(=C(C=C3)C4=CC=CC=C4S(=O)(=O)NC5=NOC(=C5C)C)COCC

IUPAC Name

2-[4-[(2-butyl-4-oxo-1,3-diazaspiro[4.4]non-1-en-3-yl)methyl]-2-(ethoxymethyl)phenyl]-N-(4,5-dimethyl-1,2-oxazol-3-yl)benzenesulfonamide

InChIKey

WRFHGDPIDHPWIQ-UHFFFAOYSA-N

INCHI

1S/C32H40N4O5S/c1-5-7-14-29-33-32(17-10-11-18-32)31(37)36(29)20-24-15-16-26(25(19-24)21-40-6-2)27-12-8-9-13-28(27)42(38,39)35-30-22(3)23(4)41-34-30/h8-9,12-13,15-16,19H,5-7,10-11,14,17-18,20-21H2,1-4H3,(H,34,35)

Isomères SMILES

CCCCC1=NC2(CCCC2)C(=O)N1CC3=CC(=C(C=C3)C4=CC=CC=C4S(=O)(=O)NC5=NOC(=C5C)C)COCC

PubChem CID

10257882

Poids moléculaire

592.75

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Classe Benzene and substituted derivatives
      • Subclass Biphenyls and derivatives

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Classe: Benzene and substituted derivatives
• Subclass: Biphenyls and derivatives
• Intermediate Tree Nodes: Not available
• Direct Parent: Biphenyls and derivatives
• Alternative Parents: Alpha amino acids and derivatives Benzenesulfonamides Benzenesulfonyl compounds Benzylethers Organosulfonamides Imidazolinones Imidolactams Heteroaromatic compounds Aminosulfonyl compounds Isoxazoles Dialkyl ethers Carboximidamides Carboxamidines Propargyl-type 1,3-dipolar organic compounds Oxacyclic compounds Azacyclic compounds Hydrocarbon derivatives Carbonyl compounds Organic oxides
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Biphenyl - Alpha-amino acid or derivatives - Benzenesulfonamide - Benzenesulfonyl group - Benzylether - Imidazolinone - Imidolactam - Organosulfonic acid amide - Azole - Heteroaromatic compound - 2-imidazoline - Isoxazole - Organic sulfonic acid or derivatives - Organosulfonic acid or derivatives - Aminosulfonyl compound - Sulfonyl - Amidine - Oxacycle - Carboxylic acid amidine - Carboxylic acid derivative - Dialkyl ether - Ether - Azacycle - Organoheterocyclic compound - Organic 1,3-dipolar compound - Carboximidamide - Propargyl-type 1,3-dipolar organic compound - Hydrocarbon derivative - Organic nitrogen compound - Carbonyl group - Organonitrogen compound - Organooxygen compound - Organosulfur compound - Organic oxygen compound - Organic oxide - Aromatic heteropolycyclic compound
• Description: This compound belongs to the class of organic compounds known as biphenyls and derivatives. These are organic compounds containing to benzene rings linked together by a C-C bond.
• 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)

AGTR1 Tclin Type-1 angiotensin II receptor (3 Activities)

Discover Target: AGTR1

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

EDNRA Tclin Endothelin-1 receptor (3 Activities)

Discover Target: EDNRA

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

AGTR1 Tclin Type-1 angiotensin II receptor (5176 Activities)

Discover Target: AGTR1

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

EDNRA Tclin Endothelin receptor ET-A (5008 Activities)

Discover Target: EDNRA

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

Cibles associées (non humaines)

rep Replicase polyprotein 1ab (378 Activities)

Discover Target: rep

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

Agtr1b Angiotensin II receptor (AT-1) type-1 (1480 Activities)

Discover Target: Agtr1b

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

Mécanismes d'action

Propriétés chimiques et physiques

• Poids moléculaire: 592.800 g/mol
• XLogP3: 5.000
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 8
• Rotatable Bond Count: 12
• Exact Mass: 592.272 Da
• Monoisotopic Mass: 592.272 Da
• Topological Polar Surface Area: 122.000 Ų
• Heavy Atom Count: 42
• Formal Charge: 0
• Complexity: 1060.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• 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 ?20 °C. Freezer storage is required to maintain the specified shelf life.

How is this product shipped?

This product ships in an insulated container with ice pads. 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 254740-64-2, the molecular formula is C32H40N4O5S, and the molecular weight is 592.75 g/mol. InChIKey WRFHGDPIDHPWIQ-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.