GNE 9278 - ≥98%(HPLC) , CAS No.901230-11-3

CAS: 901230-11-3 Cat. No.: G288710 Fórmula: C₂₁H₂₇N₅O₃S Peso molecular: 429.54

GRADE & PURITY ≥98%(HPLC)

Synonyms

4-ciclohexil-N-(7-hidroxi-5-metil-2-propil[1,2,4]triazolo[1,5-a]pirimidin-6-il)bencenosulfonamida

Storage

Conservar a 2-8°C

Shipped In

Hielo húmedo

Specifications

Sinónimos

4-ciclohexil-N-(7-hidroxi-5-metil-2-propil[1,2,4]triazolo[1,5-a]pirimidin-6-il)bencenosulfonamida

Especificaciones y pureza

≥98%(HPLC)

Mecanismos bioquímicos y fisiológicos

Modulador alostérico positivo de los receptores NMDA. Potencia los receptores NMDA que contienen las subunidades GluN2A, 2B, 2C y 2D (los valores EC50 son 0,74, 3,07, 0,47 y 0,32 μM en un ensayo de flujo de Ca2+, respectivamente). Se une dentro del domini

Condiciones de almacenamiento de almacenamiento

Conservar a 2-8°C

Enviado en

Hielo húmedo

Pureza

≥98%(HPLC)

Nombres e identificadores

Sonrisas canónicas

CCCC1=NC2=NC(=C(C(=O)N2N1)NS(=O)(=O)C3=CC=C(C=C3)C4CCCCC4)C

IUPAC Name

4-cyclohexyl-N-(5-methyl-7-oxo-2-propyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)benzenesulfonamide

InChIKey

OKXCVUICUUOADN-UHFFFAOYSA-N

INCHI

1S/C21H27N5O3S/c1-3-7-18-23-21-22-14(2)19(20(27)26(21)24-18)25-30(28,29)17-12-10-16(11-13-17)15-8-5-4-6-9-15/h10-13,15,25H,3-9H2,1-2H3,(H,22,23,24)

Isómeros SMILES

CCCC1=NC2=NC(=C(C(=O)N2N1)NS(=O)(=O)C3=CC=C(C=C3)C4CCCCC4)C

Peso molecular

429.54

Reaxy-Rn

34506529

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=34506529&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Clase Benzene and substituted derivatives
      • Subclass Benzenesulfonamides

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Clase: Benzene and substituted derivatives
• Subclass: Benzenesulfonamides
• Intermediate Tree Nodes: Not available
• Direct Parent: Benzenesulfonamides
• Alternative Parents: Triazolopyrimidines Benzenesulfonyl compounds Pyrimidones Organosulfonamides Triazoles Heteroaromatic compounds Aminosulfonyl compounds Lactams Azacyclic compounds Organooxygen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Benzenesulfonamide - Benzenesulfonyl group - Triazolopyrimidine - Pyrimidone - Pyrimidine - Organosulfonic acid amide - Azole - Heteroaromatic compound - Organic sulfonic acid or derivatives - Aminosulfonyl compound - 1,2,4-triazole - Triazole - Sulfonyl - Organosulfonic acid or derivatives - Lactam - Azacycle - Organoheterocyclic compound - Hydrocarbon derivative - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Organic oxide - Organic oxygen compound - Organic nitrogen compound - Aromatic heteropolycyclic compound
• Descripción: This compound belongs to the class of organic compounds known as benzenesulfonamides. These are organic compounds containing a sulfonamide group that is S-linked to a benzene ring.
• 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)

GRIN2A Tclin Glutamate receptor ionotropic, NMDA 2A (1 Activities)

Discover Target: GRIN2A

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

GRIN2C Tclin Glutamate receptor ionotropic, NMDA 2C (1 Activities)

Discover Target: GRIN2C

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

GRIN2D Tclin Glutamate receptor ionotropic, NMDA 2D (1 Activities)

Discover Target: GRIN2D

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

Propiedades químicas y físicas

• Solubilidad: Solvent:DMSO, Max Conc. mg/mL: 42.95, Max Conc. mM: 100
• Peso molecular: 429.500 g/mol
• XLogP3: 3.600
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 6
• Exact Mass: 429.183 Da
• Monoisotopic Mass: 429.183 Da
• Topological Polar Surface Area: 112.000 Ų
• Heavy Atom Count: 30
• Formal Charge: 0
• Complexity: 873.000
• 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

Preguntas frecuentes

How is this product shipped?

This product ships chilled on wet ice. Unpack on arrival and transfer it to the storage condition stated above.

What is the purity of this product, and how is it determined?

This product is supplied at ≥98% purity, determined by HPLC. Lot-specific values are stated on the Certificate of Analysis.

How should this product be stored?

Store at 2–8 °C. Refrigerated storage is required to maintain the specified shelf life.

What are the CAS number, molecular formula and molecular weight?

The CAS Number is 901230-11-3, the molecular formula is C??H??N?O?S, and the molecular weight is 429.54 g/mol. InChIKey OKXCVUICUUOADN-UHFFFAOYSA-N.

What documentation is provided?

Available product documentation, including Certificates of Analysis (COA), Safety Data Sheets (SDS), and specification sheets, is shown in the product document area. Document availability and access follow the current site policy.