Diazoxide - Moligand™, ≥98% , Activator of K ir6.1;Activator of K ir6.2, CAS No.364-98-7, Activator of K ir6.1;Activator of K ir6.2

CAS: 364-98-7 Cat. No.: D136582 Peso molecular: 230.67 Número EC: 206-668-1

GRADE & PURITY Moligand™, ≥98%

Synonyms

MFCD00078578 | Diazoxido | EINECS 206-668-1 | SMR000058392 | 7-Chloro-3-methyl-2H-1,4-benzothiadiazine 1,1-dioxide | DTXCID902914 | 7-chloro-3-methyl-4H-1$l^{6},2,4-benzothiadiazine 1,1-dioxide | Bio1_000036 | DIAZOXIDE [EP MONOGRAPH] | Diazoxidum | NSC76

Storage

Store at 2-8°C

Shipped In

Wet ice

Specifications

Sinónimos

MFCD00078578 | Diazoxido | EINECS 206-668-1 | SMR000058392 | 7-Chloro-3-methyl-2H-1, 4-benzothiadiazine 1, 1-dioxide | DTXCID902914 | 7-chloro-3-methyl-4H-1$l^{6}, 2, 4-benzothiadiazine 1, 1-dioxide | Bio1_000036 | DIAZOXIDE [EP MONOGRAPH] | Diazoxidum | NSC76

Especificaciones y pureza

Moligand™, ≥98%

Mecanismos bioquímicos y fisiológicos

Selective K IR 6.x (K ATP ) activator; antihypertensive.

Condiciones de almacenamiento de almacenamiento

Store at 2-8°C

Enviado en

Wet ice

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

Grado

Moligand™

Tipo de acción

ACTIVATOR

Mecanismo de acción

Activator of K ir6.1;Activator of K ir6.2

Nota

Wherever possible, you should prepare and use solutions on the same day. However, if you need to make up stock solutions in advance, we recommend that you store the solution as aliquots in tightly sealed vials at -20°C. Generally, these will be useable for up to one month. Before use, and prior to opening the vial we recommend that you allow your product to equilibrate to room temperature for at least 1 hour. Need more advice on solubility, usage and handling? Please visit our frequently asked questions (FAQ) page for more details.

Pureza

≥98%

Nombres e identificadores

• Pubchem Sid: 488179733
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488179733
• Sonrisas canónicas: CC1=NS(=O)(=O)C2=C(N1)C=CC(=C2)Cl
• IUPAC Name: 7-chloro-3-methyl-4H-1λ6,2,4-benzothiadiazine 1,1-dioxide
• InChIKey: GDLBFKVLRPITMI-UHFFFAOYSA-N
• INCHI: 1S/C8H7ClN2O2S/c1-5-10-7-3-2-6(9)4-8(7)14(12,13)11-5/h2-4H,1H3,(H,10,11)
• Isómeros SMILES: CC1=NS(=O)(=O)C2=C(N1)C=CC(=C2)Cl
• WGK Alemania: 3
• RTECS: DK8185000
• Peso molecular: 230.67
• Reaxy-Rn: 523846
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=523846&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: Imidolactams Benzenoids Aryl chlorides Organosulfonic acids and derivatives Azacyclic compounds Amidines Organopnictogen compounds Organochlorides Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: 1,2,4-benzothiadiazine-1,1-dioxide - Aryl chloride - Aryl halide - Benzenoid - Imidolactam - Organosulfonic acid or derivatives - Organic sulfonic acid or derivatives - Azacycle - Amidine - Hydrocarbon derivative - Organonitrogen compound - Organochloride - Organohalogen compound - Organic nitrogen compound - Organic oxide - Organopnictogen compound - Organic oxygen compound - 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: sulfone - organochlorine compound - 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)

KCNJ8 Tbio ATP-sensitive inward rectifier potassium channel 8 (0 Activities)

Discover Target: KCNJ8

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

KCNJ11 Tclin ATP-sensitive inward rectifier potassium channel 11 (1 Activities)

Discover Target: KCNJ11

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

Propiedades químicas y físicas

• Solubilidad: Insoluble in water; Soluble in Dimethylformamide,Alcohol
• Sensibilidad: Heat sensitive
• Punto de fusión (°C): 332 °C
• Peso molecular: 230.670 g/mol
• XLogP3: 1.200
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 0
• Exact Mass: 229.992 Da
• Monoisotopic Mass: 229.992 Da
• Topological Polar Surface Area: 66.900 Ų
• Heavy Atom Count: 14
• Formal Charge: 0
• Complexity: 360.000
• 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. Panqin Ma, Zheng Luo, Qi Wang, Ying Chen, Feng Liu, Changliang Ren, Caisheng Wu, Zibiao Li, Yun-Long Wu.  (2024)  Combined activation of artificial and natural ion channels for disrupting mitochondrial ion homeostasis towards effective postoperative tumor recurrence and metastasis suppression.  Theranostics,      [PMID:38855179] [10.7150/thno.94855]