Sitaxentan sódico - ≥98% , Endothelin receptor, ET-A/ET-B antagonist, CAS No.210421-74-2, Endothelin receptor, ET-A/ET-B antagonist

CAS: 210421-74-2 Cat. No.: S129853 Peso molecular: 476.89 PubChem CID: 11477084

GRADE & PURITY ≥98%

Synonyms

Q27265587 | HMS3749C05 | Sitaxsentan (sodium) | SW219294-1 | HY-11103 | MDTNUYUCUYPIHE-UHFFFAOYSA-N | SITAXENTAN SODIUM [WHO-DD] | sodium;(4-chloro-3-methyl-1,2-oxazol-5-yl)-[2-[2-(6-methyl-1,3-benzodioxol-5-yl)acetyl]thiophen-3-yl]sulfonylazanide | TBC 1

Storage

Conservar a -20°C

Shipped In

Hielera + almohadillas de hielo

Descripción general

Sal sódica de sitaxentán

Specifications

Sinónimos

Q27265587 | HMS3749C05 | Sitaxsentan (sodium) | SW219294-1 | HY-11103 | MDTNUYUCUYPIHE-UHFFFAOYSA-N | SITAXENTAN SODIUM [WHO-DD] | sodium;(4-chloro-3-methyl-1, 2-oxazol-5-yl)-[2-[2-(6-methyl-1, 3-benzodioxol-5-yl)acetyl]thiophen-3-yl]sulfonylazanide | TBC 1

Especificaciones y pureza

≥98%

Mecanismos bioquímicos y fisiológicos

El sitaxsentán sódico (sal sódica TBC11251) es un antagonista altamente selectivo de los receptores de endotelina A, activo por vía oral.Antagonista altamente potente, selectivo y competitivo de los receptores de endotelina A (IC 50 = 1, 4 nM). Activo por

Condiciones de almacenamiento de almacenamiento

Conservar a -20°C

Enviado en

Hielera + almohadillas de hielo

Tipo de acción

ANTAGONIST

Mecanismo de acción

Endothelin receptor, ET-A/ET-B antagonist

Nota

Siempre que sea posible, prepare y utilice las soluciones el mismo día. Sin embargo, si necesita preparar soluciones madre con antelación, le recomendamos que almacene la solución como alícuotas en viales herméticamente cerrados a -20°C. Por lo general, podrán utilizarse durante un mes. Antes de su uso, y antes de abrir el vial, le recomendamos que deje que el producto se equilibre a temperatura ambiente durante al menos 1 hora. ¿Necesita más consejos sobre solubilidad, uso y manipulación? Visite nuestra página de preguntas frecuentes (FAQ) para obtener más información.

Pureza

≥98%

Nombres e identificadores

• Pubchem Sid: 504766470
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504766470
• Sonrisas canónicas: CC1=CC2=C(C=C1CC(=O)C3=C(C=CS3)S(=O)(=O)[N-]C4=C(C(=NO4)C)Cl)OCO2.[Na+]
• IUPAC Name: sodium;(4-chloro-3-methyl-1,2-oxazol-5-yl)-[2-[2-(6-methyl-1,3-benzodioxol-5-yl)acetyl]thiophen-3-yl]sulfonylazanide
• InChIKey: MDTNUYUCUYPIHE-UHFFFAOYSA-N
• INCHI: 1S/C18H14ClN2O6S2.Na/c1-9-5-13-14(26-8-25-13)7-11(9)6-12(22)17-15(3-4-28-17)29(23,24)21-18-16(19)10(2)20-27-18;/h3-5,7H,6,8H2,1-2H3;/q-1;+1
• Isómeros SMILES: CC1=CC2=C(C=C1CC(=O)C3=C(C=CS3)S(=O)(=O)[N-]C4=C(C(=NO4)C)Cl)OCO2.[Na+]
• WGK Alemania: 3
• RTECS: XN0296600
• PubChem CID: 11477084
• Peso molecular: 476.89

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Clase Benzodioxoles

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Clase: Benzodioxoles
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Benzodioxoles
• Alternative Parents: Aryl alkyl ketones Aryl chlorides Benzenoids Thiophenes Sulfonyls Organosulfonic acids and derivatives Heteroaromatic compounds Isoxazoles Oxacyclic compounds Acetals Azacyclic compounds Organic metal halides Hydrocarbon derivatives Organic oxides Organic sodium salts Organic zwitterions Organochlorides Organonitrogen compounds Aldehydes Organopnictogen compounds
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Benzodioxole - Aryl ketone - Aryl alkyl ketone - Aryl chloride - Aryl halide - Benzenoid - Azole - Isoxazole - Organic sulfonic acid or derivatives - Heteroaromatic compound - Organosulfonic acid or derivatives - Sulfonyl - Thiophene - Ketone - Organic metal halide - Acetal - Organic alkali metal salt - Azacycle - Oxacycle - Organic salt - Hydrocarbon derivative - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Organochloride - Organohalogen compound - Organic zwitterion - Organic oxide - Organic sodium salt - Organopnictogen compound - Organic oxygen compound - Organic nitrogen compound - Aldehyde - Aromatic heteropolycyclic compound
• Descripción: This compound belongs to the class of organic compounds known as benzodioxoles. These are organic compounds containing a benzene ring fused to either isomers of dioxole. Dioxole is a five-membered unsaturated ring of two oxygen atoms and three carbon atoms.
• 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

Objetivos asociados (no humanos)

rep Replicase polyprotein 1ab (378 Activities)

Discover Target: rep

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

Mecanismos de acción

Propiedades químicas y físicas

• Solubilidad: DMSO 40 mg/mL Water <1 mg/mL Ethanol 20 mg/mL
• Peso molecular: 476.900 g/mol
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 9
• Rotatable Bond Count: 6
• Exact Mass: 475.988 Da
• Monoisotopic Mass: 475.988 Da
• Topological Polar Surface Area: 133.000 Ų
• Heavy Atom Count: 30
• Formal Charge: 0
• Complexity: 726.000
• 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: 2

XLogP3