CBR-470-1 - ≥98% , CAS No.2416095-06-0

CAS: 2416095-06-0 Cat. No.: C649204 Molecular Weight: 365.90 PubChem CID: 20898025

GRADE & PURITY ≥98%

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Overview

CBR-470-1 is an inhibitor of the glycolytic enzyme phosphoglycerate kinase 1 (PGK1) . CBR-470-1 is also a non-covalent Nrf2 activator. CBR-470-1 protects SH-SY5Y neuronal cells against MPP + -induced cytotoxicity through activation of the Keap1-Nrf2 cascade

In Vitro

CBR-470-1 (0.01-10 μM; 24 h) has an EC 50 of 962 nM in ARE-LUC reporter assay of IMR32 cells. CBR-470-1 (0.5-20 μM; 1-24 h) results in a dose- and time-dependent accumulation of Nrf2 protein in IMR32 cells. CBR-470-1 (10 μM; 4 h) activates Nrf2 signaling cascade in SH-SY5Y cells. CBR-470-1 (10 μM; 2 h) inhibits MPP + -induced oxidative injury in SH-SY5Y neuronal cells. MCE has not independently confirmed the accuracy of these methods. They are for reference only. Western Blot AnalysisCell Line: IMR32 cells Concentration: 0.5, 1, 5, 10, 20 μM Incubation Time: 1, 2, 4, 8, 24 h Result: Increased the Nrf2 protein in a dose- and time-dependent manner. Increased both mRNA and protein levels of the Nrf2-responsive genes NQO1 and HMOX1 .

Form:Solid

IC50& Target:Keap1-Nrf2

Specifications

Specifications & Purity

≥98%

Biochemical and Physiological Mechanisms

CBR-470-1 is an inhibitor of the glycolytic enzyme phosphoglycerate kinase 1 (PGK1) . CBR-470-1 is also a non-covalent Nrf2 activator. CBR-470-1 protects SH-SY5Y neuronal cells against MPP + -induced cytotoxicity through activation of the Keap1-Nrf2 casca

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%

Names and Identifiers

• Canonical Smiles: CC(C)CNC1CS(=O)(=O)CC1S(=O)(=O)C2=CC=C(C=C2)Cl
• IUPAC Name: (3S,4R)-4-(4-chlorophenyl)sulfonyl-N-(2-methylpropyl)-1,1-dioxothiolan-3-amine
• InChIKey: NFEQFEDSWINARK-KBPBESRZSA-N
• INCHI: 1S/C14H20ClNO4S2/c1-10(2)7-16-13-8-21(17,18)9-14(13)22(19,20)12-5-3-11(15)4-6-12/h3-6,10,13-14,16H,7-9H2,1-2H3/t13-,14-/m0/s1
• Isomeric SMILES: CC(C)CN[C@H]1CS(=O)(=O)C[C@@H]1S(=O)(=O)C2=CC=C(C=C2)Cl
• PubChem CID: 20898025
• Molecular Weight: 365.90

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Class Benzene and substituted derivatives
      • Subclass Benzenesulfonyl compounds

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Class: Benzene and substituted derivatives
• Subclass: Benzenesulfonyl compounds
• Intermediate Tree Nodes: Not available
• Direct Parent: Benzenesulfonyl compounds
• Alternative Parents: Chlorobenzenes Aryl chlorides Thiolanes Sulfones Dialkylamines Organochlorides Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Benzenesulfonyl group - Chlorobenzene - Halobenzene - Aryl chloride - Aryl halide - Sulfone - Thiolane - Sulfonyl - Secondary aliphatic amine - Secondary amine - Organoheterocyclic compound - Organonitrogen compound - Organochloride - Organohalogen compound - Hydrocarbon derivative - Amine - Organic oxide - Organic oxygen compound - Organosulfur compound - Organic nitrogen compound - Aromatic heteromonocyclic compound
• Description: This compound belongs to the class of organic compounds known as benzenesulfonyl compounds. These are aromatic compounds containing a benzenesulfonyl group, which consists of a monocyclic benzene moiety that carries a sulfonyl group.
• 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: DMSO : 200 mg/mL (546.60 mM; Need ultrasonic)
• Molecular Weight: 365.900 g/mol
• XLogP3: 2.500
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 5
• Exact Mass: 365.052 Da
• Monoisotopic Mass: 365.052 Da
• Topological Polar Surface Area: 97.100 Ų
• Heavy Atom Count: 22
• Formal Charge: 0
• Complexity: 569.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 2
• 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