Chlorothiazide - Moligand™, ≥98% , Inhibitor of Na-Cl symporter, CAS No.58-94-6, Inhibitor of Na-Cl symporter

CAS: 58-94-6 Cat. No.: C129621 Peso molecular: 373.44 Número EC: 200-404-9

GRADE & PURITY Moligand™, ≥98%

Synonyms

6-chloro-1,1-dioxo-2H-1$l^{6},2,4-benzothiadiazine-7-sulfonamide | Spectrum_000134 | 6-chloro-4H-1,2,4-benzothiadiazine-7-sulfonamide 1,1-dioxide | CHLOROTHIAZIDE [VANDF] | Lopac0_000254 | Saluretil | CHLOROTHIAZIDE [USP MONOGRAPH] | Alurene | Chlorothiaz

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Specifications

Sinónimos

6-chloro-1, 1-dioxo-2H-1$l^{6}, 2, 4-benzothiadiazine-7-sulfonamide | Spectrum_000134 | 6-chloro-4H-1, 2, 4-benzothiadiazine-7-sulfonamide 1, 1-dioxide | CHLOROTHIAZIDE [VANDF] | Lopac0_000254 | Saluretil | CHLOROTHIAZIDE [USP MONOGRAPH] | Alurene | Chlorothiaz

Especificaciones y pureza

Moligand™, ≥98%

Condiciones de almacenamiento de almacenamiento

Store at -20°C

Enviado en

Ice chest + Ice pads

Este producto requiere envío en cadena de frío. Los servicios terrestres y otros servicios económicos no están disponibles.

Grado

Moligand™

Tipo de acción

INHIBITOR

Mecanismo de acción

Inhibitor of Na-Cl symporter

Pureza

≥98%

Nombres e identificadores

• Sonrisas canónicas: C1=C2C(=CC(=C1Cl)S(=O)(=O)N)S(=O)(=O)N=CN2
• IUPAC Name: 6-chloro-1,1-dioxo-4H-1λ6,2,4-benzothiadiazine-7-sulfonamide
• InChIKey: JBMKAUGHUNFTOL-UHFFFAOYSA-N
• INCHI: 1S/C7H6ClN3O4S2/c8-4-1-5-7(2-6(4)16(9,12)13)17(14,15)11-3-10-5/h1-3H,(H,10,11)(H2,9,12,13)
• Isómeros SMILES: C1=C2C(=CC(=C1Cl)S(=O)(=O)N)S(=O)(=O)N=CN2
• Peso molecular: 373.44
• Reaxy-Rn: 1084805
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1084805&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Clase Thiadiazines
      • Subclass Benzothiadiazines

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Clase: Thiadiazines
• Subclass: Benzothiadiazines
• Intermediate Tree Nodes: Not available
• Direct Parent: 1,2,4-benzothiadiazine-1,1-dioxides
• Alternative Parents: Organosulfonamides Benzenoids Aryl chlorides Aminosulfonyl compounds Propargyl-type 1,3-dipolar organic compounds Formamidines Azacyclic compounds Organopnictogen compounds Organochlorides Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: 1,2,4-benzothiadiazine-1,1-dioxide - Aryl chloride - Aryl halide - Organosulfonic acid amide - Benzenoid - Organic sulfonic acid or derivatives - Organosulfonic acid or derivatives - Sulfonyl - Aminosulfonyl compound - Propargyl-type 1,3-dipolar organic compound - Formamidine - Amidine - Organic 1,3-dipolar compound - Azacycle - Organopnictogen compound - Organic nitrogen compound - Organic oxygen compound - Organosulfur compound - Organonitrogen compound - Organochloride - Organohalogen compound - Hydrocarbon derivative - Organic oxide - Aromatic heteropolycyclic compound
• Descripción: This compound belongs to the class of organic compounds known as 1,2,4-benzothiadiazine-1,1-dioxides. These are aromatic heterocyclic compounds containing a 1,2,4-benzothiadiazine ring system with two S=O bonds at the 1-position.
• External Descriptors: benzothiadiazine

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 (humanos)

SLC12A3 Tclin Solute carrier family 12 member 3 (0 Activities)

Discover Target: SLC12A3

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

Propiedades químicas y físicas

• Peso molecular: 295.700 g/mol
• XLogP3: -0.200
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 1
• Exact Mass: 294.949 Da
• Monoisotopic Mass: 294.949 Da
• Topological Polar Surface Area: 135.000 Ų
• Heavy Atom Count: 17
• Formal Charge: 0
• Complexity: 532.000
• 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

Referencias

1. Hongying Liu, Cairui Zhang, Chenwei Wang, Kai Fan, Yuqing Zhang, Lu Fang, Lihua Li, Chaoxiang Ren, Zheng-Zhi Yin, Zhong Lü.  (2023)  A highly selective and sensitive sensor for promethazine based on molecularly imprinted interface coated Au/Sn bimetal nanoclusters functionalized acupuncture needle microelectrode.  ANALYTICA CHIMICA ACTA,      [PMID:37290856] [10.1016/j.aca.2023.341395]