CMS-121 - ≥98% , CAS No.1353224-53-9

CAS: 1353224-53-9 Cat. No.: C646315 Molecular Weight: 321.37 PubChem CID: 135741221

GRADE & PURITY ≥98%

Synonyms

4-[4-(Cyclopentyloxy)quinolin-2-yl]benzene-1,2-diol | BW9P9F8JEY | HY-135981 | AKOS040741561 | EX-A4377 | UNII-BW9P9F8JEY | MFCD22192465 | SCHEMBL14697212 | 4-(4-cyclopentyloxyquinolin-2-yl)benzene-1,2-diol | 4-(4-(Cyclopentyloxy)-2-quinolinyl)-1,2-benzen

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Overview

CMS-121 is a quinolone derivative and an orally active acetyl-CoA carboxylase 1 (ACC1) inhibitor. CMS-121 protects HT22 cells against ischemia and oxidative damage with EC 50 values of 7 nM and 200 nM, respectively. CMS-121 has strong neuroprotective, anti-inflammatory, antioxidative and renoprotective activities

In Vitro

CMS-121 (1 µM; 4 hours; HT22 cells) treatment increases the phosphorylation of ACC1 at serine 79. CMS-121 can increase acetyl-CoA in cells. MCE has not independently confirmed the accuracy of these methods. They are for reference only. Western Blot AnalysisCell Line: HT22 cells Concentration: 1 µM Incubation Time: 4 hours Result: Increases the phosphorylation of ACC1 at serine 79.

In Vivo

CMS-121 (~20 mg/kg; oral administration; daily; for 4 months; female SAMP8 mice) treatment reduces cognitive decline as well as metabolic and transcriptional markers of aging in the brain when administered to rapidly aging SAMP8 mice. CMS-121 preserves mitochondrial homeostasis by regulating acetyl-coenzyme A (acetyl-CoA) metabolism . MCE has not independently confirmed the accuracy of these methods. They are for reference only. Animal Model: Female SAMP8 mice (9 months old) Dosage: ~20 mg/kg/day Administration: Oral administration; daily; for 4 months Result: Reduced cognitive decline as well as metabolic and transcriptional markers of aging in the brain.

Form:Solid

IC50& Target:Acetyl-CoA carboxylase 1 (ACC1)

Specifications

Synonyms

4-[4-(Cyclopentyloxy)quinolin-2-yl]benzene-1, 2-diol | BW9P9F8JEY | HY-135981 | AKOS040741561 | EX-A4377 | UNII-BW9P9F8JEY | MFCD22192465 | SCHEMBL14697212 | 4-(4-cyclopentyloxyquinolin-2-yl)benzene-1, 2-diol | 4-(4-(Cyclopentyloxy)-2-quinolinyl)-1, 2-benzen

Specifications & Purity

≥98%

Biochemical and Physiological Mechanisms

CMS-121 is a quinolone derivative and an orally active acetyl-CoA carboxylase 1 (ACC1) inhibitor. CMS-121 protects HT22 cells against ischemia and oxidative damage with EC 50 values of 7 nM and 200 nM, respectively. CMS-121 has strong neuroprotective, ant

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

INHIBITOR

Purity

≥98%

Names and Identifiers

• Canonical Smiles: C1CCC(C1)OC2=CC(=NC3=CC=CC=C32)C4=CC(=C(C=C4)O)O
• IUPAC Name: 4-(4-cyclopentyloxyquinolin-2-yl)benzene-1,2-diol
• InChIKey: OMHNVUCFPJJLKD-UHFFFAOYSA-N
• INCHI: 1S/C20H19NO3/c22-18-10-9-13(11-19(18)23)17-12-20(24-14-5-1-2-6-14)15-7-3-4-8-16(15)21-17/h3-4,7-12,14,22-23H,1-2,5-6H2
• Isomeric SMILES: C1CCC(C1)OC2=CC(=NC3=CC=CC=C32)C4=CC(=C(C=C4)O)O
• Alternate CAS: 1353224-53-9
• PubChem CID: 135741221
• Molecular Weight: 321.37

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Class Quinolines and derivatives
      • Subclass Phenylquinolines

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Class: Quinolines and derivatives
• Subclass: Phenylquinolines
• Intermediate Tree Nodes: Not available
• Direct Parent: Phenylquinolines
• Alternative Parents: Phenylpyridines Catechols Alkyl aryl ethers 1-hydroxy-4-unsubstituted benzenoids 1-hydroxy-2-unsubstituted benzenoids Benzene and substituted derivatives Heteroaromatic compounds Azacyclic compounds Organonitrogen compounds Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Phenylquinoline - 2-phenylpyridine - Catechol - Alkyl aryl ether - 1-hydroxy-4-unsubstituted benzenoid - 1-hydroxy-2-unsubstituted benzenoid - Phenol - Monocyclic benzene moiety - Benzenoid - Pyridine - Heteroaromatic compound - Ether - Azacycle - Organic nitrogen compound - Organooxygen compound - Organonitrogen compound - Hydrocarbon derivative - Organic oxygen compound - Aromatic heteropolycyclic compound
• Description: This compound belongs to the class of organic compounds known as phenylquinolines. These are heterocyclic compounds containing a quinoline moiety substituted with a phenyl 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

Associated Targets(Human)

N9 (414 Activities)

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

Associated Targets(non-human)

PC-12 (7051 Activities)

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

Mechanisms of Action

Chemical and Physical Properties

• Solubility: DMSO : 50 mg/mL (155.58 mM; Need ultrasonic)
• Molecular Weight: 321.400 g/mol
• XLogP3: 4.400
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 3
• Exact Mass: 321.136 Da
• Monoisotopic Mass: 321.136 Da
• Topological Polar Surface Area: 62.600 Ų
• Heavy Atom Count: 24
• Formal Charge: 0
• Complexity: 412.000
• 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