Diazoxide - Moligand™, 10mM in DMSO , 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.: D423637 Molecular Weight: 230.67 EC Number: 206-668-1

GRADE & PURITY Moligand™, 10mM in DMSO

Synonyms

diazoxide|364-98-7|Proglycem|Hyperstat|Hypertonalum|Eudemine|Proglicem|Dizoxide|Mutabase|7-Chloro-3-methyl-2H-1,2,4-benzothiadiazine 1,1-dioxide|Diazossido|Diazoxidum|Sch 6783|Sch-6783|Diazoxido|SRG 95213|SRG-95213|C8H7ClN2O2S|Eudemine injection|2H-1,2,4-

Storage

Store at -80°C

Shipped In

Dry ice packs + Cold packs

Specifications

Synonyms

diazoxide | 364-98-7 | Proglycem | Hyperstat | Hypertonalum | Eudemine | Proglicem | Dizoxide | Mutabase | 7-Chloro-3-methyl-2H-1, 2, 4-benzothiadiazine 1, 1-dioxide | Diazossido | Diazoxidum | Sch 6783 | Sch-6783 | Diazoxido | SRG 95213 | SRG-95213 | C8H7ClN2O2S | Eudemine injection | 2H-1, 2, 4-

Specifications & Purity

Moligand™, 10mM in DMSO

Biochemical and Physiological Mechanisms

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

Storage

Store at -80°C

Shipped In

Dry ice packs + Cold packs

This product requires cold chain shipping. Ground and other economy services are not available.

Grade

Moligand™

Action Type

ACTIVATOR

Mechanism of action

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

Names and Identifiers

• Canonical Smiles: 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)
• Isomeric SMILES: CC1=NS(=O)(=O)C2=C(N1)C=CC(=C2)Cl
• WGK Germany: 3
• RTECS: DK8185000
• Molecular Weight: 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
    • Class Thiadiazines
      • Subclass Benzothiadiazines

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Class: 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
• Description: 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

Associated Targets(Human)

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)

Chemical and Physical Properties

• Sensitivity: Heat sensitive
• Melt Point(°C): 332 °C
• Molecular Weight: 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

References

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]