CLP-290 - ≥97% , CAS No.1181083-81-7

CAS: 1181083-81-7 Cat. No.: C172342 Fórmula: C₁₉H₂₁FN₄O₃S Peso molecular: 404.46

GRADE & PURITY ≥97%

Synonyms

[5-Fluoro-2-[(Z)-(2-hexahidropiridazin-1-il-4-oxotiazol-5-ilideno)metil]fenil] pirrolidin-1-carboxilato | CLP290

Storage

Conservar a 2-8°C

Shipped In

Hielo húmedo

Descripción general

CLP290 es una pequeña molécula potenciadora de la actividad de KCC2. Es un precursor oralmente activo y más biodisponible del activador selectivo del cotransportador K+-Cl- KCC2 CLP257. Recientemente se ha demostrado que el CLP290 restablece el transporte de Cl- y rescata la hiperalgesia inducida por la morfina (MIH) en ratas tratadas con morfina

Specifications

Sinónimos

[5-Fluoro-2-[(Z)-(2-hexahidropiridazin-1-il-4-oxotiazol-5-ilideno)metil]fenil] pirrolidin-1-carboxilato | CLP290

Especificaciones y pureza

≥97%

Mecanismos bioquímicos y fisiológicos

Activador del K+/Cl-Cotransportador 2 (KCC2). Activa las interneuronas inhibidoras espinales, restaura la actividad neuronal fisiológica en la médula espinal e induce la recuperación funcional en un modelo de ratón de lesión medular. También reduce la vas

Condiciones de almacenamiento de almacenamiento

Conservar a 2-8°C

Enviado en

Hielo húmedo

Tipo de acción

ACTIVATOR

Pureza

≥97%

Nombres e identificadores

• Pubchem Sid: 504770305
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504770305
• Sonrisas canónicas: C1CCN(NC1)C2=NC(=O)C(=CC3=C(C=C(C=C3)F)OC(=O)N4CCCC4)S2
• IUPAC Name: [2-[(Z)-[2-(diazinan-1-yl)-4-oxo-1,3-thiazol-5-ylidene]methyl]-5-fluorophenyl] pyrrolidine-1-carboxylate
• InChIKey: DIXMMXNNKLCLOM-WJDWOHSUSA-N
• INCHI: 1S/C19H21FN4O3S/c20-14-6-5-13(15(12-14)27-19(26)23-8-3-4-9-23)11-16-17(25)22-18(28-16)24-10-2-1-7-21-24/h5-6,11-12,21H,1-4,7-10H2/b16-11-
• Isómeros SMILES: C1CCN(NC1)C2=NC(=O)/C(=C/C3=C(C=C(C=C3)F)OC(=O)N4CCCC4)/S2
• Peso molecular: 404.46
• Reaxy-Rn: 45108760
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=45108760&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Clase Pyrrolidines
      • Subclass Pyrrolidine carboxylic acids and derivatives

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Clase: Pyrrolidines
• Subclass: Pyrrolidine carboxylic acids and derivatives
• Intermediate Tree Nodes: Not available
• Direct Parent: Pyrrolidine carboxylic acids
• Alternative Parents: Phenoxy compounds Fluorobenzenes Diazinanes Aryl fluorides Thiazolines Carbamate esters Tertiary amines N-acylimines Propargyl-type 1,3-dipolar organic compounds Azacyclic compounds Organofluorides Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Phenoxy compound - Pyrrolidine carboxylic acid - Fluorobenzene - Halobenzene - Aryl fluoride - Aryl halide - Monocyclic benzene moiety - 1,2-diazinane - Benzenoid - Carbamic acid ester - Meta-thiazoline - Amino acid or derivatives - N-acylimine - Tertiary amine - Carboxylic acid derivative - Azacycle - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Organic oxygen compound - Organic nitrogen compound - Amine - Carbonyl group - Hydrocarbon derivative - Organic oxide - Organohalogen compound - Organofluoride - Organonitrogen compound - Organooxygen compound - Aromatic heteromonocyclic compound
• Descripción: This compound belongs to the class of organic compounds known as pyrrolidine carboxylic acids. These are compounds containing a pyrrolidine ring which bears a carboxylic acid. Pyrrolidine is a five-membered saturated aliphatic heterocycle with one nitrogen atom and four carbon atoms.
• 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

Propiedades químicas y físicas

• Solubilidad: Solvent:DMSO, Max Conc. mg/mL: 20.22, Max Conc. mM: 50; Solvent:ethanol, Max Conc. mg/mL: 2.02, Max Conc. mM: 5
• Peso molecular: 404.500 g/mol
• XLogP3: 3.100
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 4
• Exact Mass: 404.132 Da
• Monoisotopic Mass: 404.132 Da
• Topological Polar Surface Area: 99.500 Ų
• Heavy Atom Count: 28
• Formal Charge: 0
• Complexity: 680.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 1
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 1
• Covalently-Bonded Unit Count: 1