CLP 257 - ≥98%(HPLC) , CAS No.1181081-71-9

CAS: 1181081-71-9 Cat. No.: C287868 Molecular Weight: 307.34 EC Number: 109-942-8 PubChem CID: 44188931

GRADE & PURITY ≥98%(HPLC)

Synonyms

CLP257

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Overview

Product Describtion:

CLP257 is a selective K+-Cl− cotransporter KCC2 activator with an EC50 of 616 nM. CLP257 is inactive against NKCC1, GABAA receptors, KCC1, KCC3 or KCC4. CLP257 restores impaired Cl− transport in neurons with diminished KCC2 activity. CLP257 alleviates hypersensitivity in rats with neuropathic pain. CLP257 modulates plasmalemmal KCC2 protein turnover post-translationally.

Product Application:

CLP257 has been used as a K+- Cl- cotransporter 2 (KCC2) enhancer in human neuron culture.

Specifications

Synonyms

CLP257

Specifications & Purity

≥98%(HPLC)

Biochemical and Physiological Mechanisms

Selective KCC2 K+-Cl-cotransporter activator (EC50= 616 nM). Exhibits selectivity for KCC2 over other KCC family members, NKCC1 and GABAAreceptors, as well as 55 other receptors. Enhances Cl-transport and increases KCC2 plasma membrane expression in spina

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

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

Action Type

ACTIVATOR

Purity

≥98%(HPLC)

Names and Identifiers

• Pubchem Sid: 488200976
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488200976
• Canonical Smiles: C1CCN(NC1)C2=NC(=O)C(=CC3=C(C=C(C=C3)F)O)S2
• IUPAC Name: (5Z)-2-(diazinan-1-yl)-5-[(4-fluoro-2-hydroxyphenyl)methylidene]-1,3-thiazol-4-one
• InChIKey: SKCADXVKQRCWTR-GHXNOFRVSA-N
• INCHI: 1S/C14H14FN3O2S/c15-10-4-3-9(11(19)8-10)7-12-13(20)17-14(21-12)18-6-2-1-5-16-18/h3-4,7-8,16,19H,1-2,5-6H2/b12-7-
• Isomeric SMILES: C1CCN(NC1)C2=NC(=O)/C(=C/C3=C(C=C(C=C3)F)O)/S2
• PubChem CID: 44188931
• Molecular Weight: 307.34

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Class Phenols
      • Subclass Halophenols
        • Level5 Fluorophenols
          • Level6 M-fluorophenols

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Class: Phenols
• Subclass: Halophenols
• Intermediate Tree Nodes: Fluorophenols
• Direct Parent: M-fluorophenols
• Alternative Parents: Fluorobenzenes 1-hydroxy-4-unsubstituted benzenoids 1-hydroxy-2-unsubstituted benzenoids Diazinanes Aryl fluorides Thiazolines N-acylimines Propargyl-type 1,3-dipolar organic compounds Carboxylic acids and derivatives Azacyclic compounds Organofluorides Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: 3-fluorophenol - 1-hydroxy-4-unsubstituted benzenoid - 1-hydroxy-2-unsubstituted benzenoid - Fluorobenzene - Halobenzene - Aryl fluoride - Aryl halide - Monocyclic benzene moiety - 1,2-diazinane - Meta-thiazoline - N-acylimine - Carboxylic acid derivative - Azacycle - Organoheterocyclic compound - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Organic oxide - Organic oxygen compound - Organic nitrogen compound - Hydrocarbon derivative - Organohalogen compound - Organofluoride - Organonitrogen compound - Organooxygen compound - Carbonyl group - Aromatic heteromonocyclic compound
• Description: This compound belongs to the class of organic compounds known as m-fluorophenols. These are fluorophenols carrying a iodine at the C3 position of the 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

Chemical and Physical Properties

• Solubility: Solvent:DMSO, Max Conc. mg/mL: 30.73, Max Conc. mM: 100
• Molecular Weight: 307.350 g/mol
• XLogP3: 2.500
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 2
• Exact Mass: 307.079 Da
• Monoisotopic Mass: 307.079 Da
• Topological Polar Surface Area: 90.200 Ų
• Heavy Atom Count: 21
• Formal Charge: 0
• Complexity: 483.000
• 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