IDRA-21 - Moligand™, ≥98% , Allosteric modulator of GluA1;Allosteric modulator of GluA2;Allosteric modulator of GluA3;Allosteric modulator of GluA4, CAS No.22503-72-6, Allosteric modulator of GluA1;Allosteric modulator of GluA2;Allosteric modulator of GluA3;Allosteric modulator of GluA4

CAS: 22503-72-6 Cat. No.: I137115 Formule: C₈H₉ClN₂O₂S Poids moléculaire: 232.69 Numéro CE: 839-213-6

GRADE & PURITY Moligand™, ≥98%

Synonyms

7-Chloro-3-methyl-3,4-dihydro-2H-1,2,4-benzothiadiazine 1,1-dioxide | AKOS024456473 | SR-01000597374-1 | UNII-689UW7PT68 | A878525 | Q5970086 | BRD-A14344385-001-02-4 | 7-Chloro-3,4-dihydro-3-methyl-2H-1,2,4-benzothiadiazine 1,1-dioxide | idra 21 | 2H-1,2

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Specifications

Synonymes

7-Chloro-3-methyl-3,4-dihydro-2H-1,2,4-benzothiadiazine 1,1-dioxide | AKOS024456473 | SR-01000597374-1 | UNII-689UW7PT68 | A878525 | Q5970086 | BRD-A14344385-001-02-4 | 7-Chloro-3,4-dihydro-3-methyl-2H-1,2,4-benzothiadiazine 1,1-dioxide | idra 21 | 2H-1,2

Spécifications et pureté

Moligand™, ≥98%

Mécanismes biochimiques et physiologiques

Inhibits AMPA receptor desensitization and enhances cognition by a related mechanism. More able to cross the blood-brain barrier thancyclothiazide.Blocks the rapid desensitization of the AMPA receptors and markedly prolongs the decay time of the evoked ex

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

ALLOSTERIC MODULATOR

Mécanisme d'action

Allosteric modulator of GluA1;Allosteric modulator of GluA2;Allosteric modulator of GluA3;Allosteric modulator of GluA4

Pureté

≥98%

Noms et identifiants

Pubchem Sid

528764874

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/528764874

Sourires canoniques

CC1NC2=C(C=C(C=C2)Cl)S(=O)(=O)N1

IUPAC Name

7-chloro-3-methyl-3,4-dihydro-2H-1λ6,2,4-benzothiadiazine 1,1-dioxide

InChIKey

VZRNTCHTJRLTMU-UHFFFAOYSA-N

INCHI

1S/C8H9ClN2O2S/c1-5-10-7-3-2-6(9)4-8(7)14(12,13)11-5/h2-5,10-11H,1H3

Isomères SMILES

CC1NC2=C(C=C(C=C2)Cl)S(=O)(=O)N1

WGK Allemagne

3

CAS alternatif

163936-78-5；22503-72-6；163936-79-6

Termes d'entrée MeSH

7-chloro-3-methyl-3,4-dihydro-2H-1,2,4-benzothiadiazine-S,S-dioxide;IDRA 21;IDRA-21

Poids moléculaire

232.69

Reaxy-Rn

1078261

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1078261&ln=

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Classe: Thiadiazines
• Subclass: Benzothiadiazines
• Intermediate Tree Nodes: Not available
• Direct Parent: 1,2,4-benzothiadiazine-1,1-dioxides
• Alternative Parents: Secondary alkylarylamines Organosulfonamides Benzenoids Aryl chlorides Azacyclic compounds Organopnictogen compounds Organochlorides Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: 1,2,4-benzothiadiazine-1,1-dioxide - Secondary aliphatic/aromatic amine - Aryl chloride - Aryl halide - Organosulfonic acid amide - Benzenoid - Organic sulfonic acid or derivatives - Organosulfonic acid or derivatives - Secondary amine - Azacycle - Organic oxide - Amine - Organopnictogen compound - Organonitrogen compound - Organochloride - Organohalogen compound - Organic oxygen compound - Organic nitrogen compound - Hydrocarbon derivative - 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: 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

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Mécanismes d'action

Propriétés chimiques et physiques

• Solubilité: Solvent:DMSO, Max Conc. mg/mL: None, Max Conc. mM: 100
• Poids moléculaire: 232.690 g/mol
• XLogP3: 1.500
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 0
• Exact Mass: 232.007 Da
• Monoisotopic Mass: 232.007 Da
• Topological Polar Surface Area: 66.600 Ų
• Heavy Atom Count: 14
• Formal Charge: 0
• Complexity: 314.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 1
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 1