S 18986 - Moligand™, ≥98%(HPLC) , Allosteric modulator of GluA1;Allosteric modulator of GluA2;Allosteric modulator of GluA3;Allosteric modulator of GluA4, CAS No.175340-20-2, Allosteric modulator of GluA1;Allosteric modulator of GluA2;Allosteric modulator of GluA3;Allosteric modulator of GluA4

CAS: 175340-20-2 Cat. No.: S288618 Peso molecular: 224.28 PubChem CID: 637863

GRADE & PURITY Moligand™, ≥98%(HPLC)

Synonyms

(6S)-8$l^{6}-thia-2,7-diazatricyclo[7.4.0.0^{2,6}]trideca-1(9),10,12-triene-8,8-dione | E98691 | S 18986 [WHO-DD] | S18986 | S-18986 | (+)-(S)-2,3,3a,4-Tetrahydro-1H-pyrrolo[2,1-c][1,2,4]benzothiadiazine-5,5-dioxide | AKOS024457867 | S18986-1 | (6S)-8 | (

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Specifications

Sinónimos

(6S)-8$l^{6}-thia-2, 7-diazatricyclo[7.4.0.0^{2, 6}]trideca-1(9), 10, 12-triene-8, 8-dione | E98691 | S 18986 [WHO-DD] | S18986 | S-18986 | (+)-(S)-2, 3, 3a, 4-Tetrahydro-1H-pyrrolo[2, 1-c][1, 2, 4]benzothiadiazine-5, 5-dioxide | AKOS024457867 | S18986-1 | (6S)-8 | (

Especificaciones y pureza

Moligand™, ≥98%(HPLC)

Mecanismos bioquímicos y fisiológicos

Positive allosteric modulator of AMPA receptors. Exhibits cognitive enhancing properties in rodent behavioral models. Brain penetrant.

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

ALLOSTERIC MODULATOR

Mecanismo de acción

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

Pureza

≥98%(HPLC)

Nombres e identificadores

• Pubchem Sid: 504759640
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504759640
• Sonrisas canónicas: C1CC2NS(=O)(=O)C3=CC=CC=C3N2C1
• IUPAC Name: (3aS)-2,3,3a,4-tetrahydro-1H-pyrrolo[2,1-c][1,2,4]benzothiadiazine 5,5-dioxide
• InChIKey: MNTIJYGEITVWHU-SNVBAGLBSA-N
• INCHI: 1S/C10H12N2O2S/c13-15(14)9-5-2-1-4-8(9)12-7-3-6-10(12)11-15/h1-2,4-5,10-11H,3,6-7H2/t10-/m1/s1
• Isómeros SMILES: C1C[C@@H]2NS(=O)(=O)C3=CC=CC=C3N2C1
• PubChem CID: 637863
• Peso molecular: 224.28

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: Dialkylarylamines Organosulfonamides Benzenoids Pyrrolidines Azacyclic compounds Organopnictogen compounds Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: 1,2,4-benzothiadiazine-1,1-dioxide - Dialkylarylamine - Benzenoid - Organosulfonic acid amide - Organosulfonic acid or derivatives - Organic sulfonic acid or derivatives - Pyrrolidine - Azacycle - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organonitrogen 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: 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 (humanos)

GRIA4 Tclin Glutamate receptor 4 (0 Activities)

Discover Target: GRIA4

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

GRIA2 Tclin Glutamate receptor 2 (0 Activities)

Discover Target: GRIA2

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

GRIA3 Tclin Glutamate receptor 3 (0 Activities)

Discover Target: GRIA3

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

GRIA1 Tclin Glutamate receptor 1 (0 Activities)

Discover Target: GRIA1

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

GRIN1 Tclin Glutamate [NMDA] receptor (933 Activities)

Discover Target: GRIN1

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

GRIA4 Tclin Glutamate receptor ionotropic AMPA (265 Activities)

Discover Target: GRIA4

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

GRIK1 Tclin Glutamate receptor ionotropic kainate (68 Activities)

Discover Target: GRIK1

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

Objetivos asociados (no humanos)

Hdac6 Histone deacetylase 6 (222 Activities)

Discover Target: Hdac6

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

rep Replicase polyprotein 1ab (378 Activities)

Discover Target: rep

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

Hippocampus (57 Activities)

Explore this target

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

Oocyte (84 Activities)

Explore this target

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

Mecanismos de acción

Propiedades químicas y físicas

• Solubilidad: Solvent:DMSO, Max Conc. mg/mL: 11.21, Max Conc. mM: 50
• Peso molecular: 224.280 g/mol
• XLogP3: 1.400
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 0
• Exact Mass: 224.062 Da
• Monoisotopic Mass: 224.062 Da
• Topological Polar Surface Area: 57.800 Ų
• Heavy Atom Count: 15
• Formal Charge: 0
• Complexity: 349.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 1
• 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