Liproxstatin-1 - Moligand™, ≥97% , CAS No.950455-15-9

CAS: 950455-15-9 Cat. No.: L413818 Formula: C₁₉H₂₁ClN₄ Molecular Weight: 340.85

GRADE & PURITY Moligand™, ≥97%

Synonyms

N-[(3-chlorophenyl)methyl]-spiro[piperidine-4,2'(1'H)-quinoxalin]-3'-amine | N-[(3-chlorophenyl)methyl]spiro[4H-quinoxaline-3,4'-piperidine]-2-amine

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Overview

Information

Liproxstatin-1 Liproxstatin-1 is a potent ferroptosis inhibitor with an IC50 of 22 nM.

Targets

ferroptosis (Cell-free assay) 22 nM

In vitro

Liproxstatin-1 is able to inhibit ferroptosis in the low nanomolar range and inhibit the growth of Gpx4^−/−cells with IC50 of 22 nM. Liproxstatin-1 (50 nM) completely prevents lipid peroxidation in Gpx4^−/−cells. Liproxstatin-1 (200 nM) protects against FINs, such as BSO (10 µM), erastin (1 µM) and RSL3 (0.5 µM), in a dose dependent manner, whereas it fails to rescue cell death induced by staurosporine (0.2 µM) and H₂O₂ (200 µM).

In vivo

Liproxstatin-1 remarkably extends survival compared with the vehicle-treated group, delays ferroptosis in tubular cells, and mitigates tissue injury in ischaemia/reperfusion-induced liver injury.

Cell Research(from reference)

Cell lines：Gpx4^−/−cells 

Concentrations：~200 nM 

Incubation Time：~72 h 

Specifications

Synonyms

N-[(3-chlorophenyl)methyl]-spiro[piperidine-4,2'(1'H)-quinoxalin]-3'-amine | N-[(3-chlorophenyl)methyl]spiro[4H-quinoxaline-3,4'-piperidine]-2-amine

Specifications & Purity

Moligand™, ≥97%

Biochemical and Physiological Mechanisms

Liproxstatin-1 is a potent inhibitor of iron death, a non apoptotic form of cell death characterized by iron dependent lethal accumulation of lipid reactive oxygen species (ROS). Liproxstatin-1 inhibited iron death in human cells and ischemia / reperfusio

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.

Grade

Moligand™

Action Type

INHIBITOR

Purity

≥97%

Product Properties

ALogP

2.598

hba_count

1

HBD Count

3

Rotatable Bond

3

Names and Identifiers

Pubchem Sid

504773420

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/504773420

Canonical Smiles

C1CNCCC12C(=NCC3=CC(=CC=C3)Cl)NC4=CC=CC=C4N2

IUPAC Name

N-[(3-chlorophenyl)methyl]spiro[1,4-dihydroquinoxaline-3,4'-piperidine]-2-imine

InChIKey

YAFQFNOUYXZVPZ-UHFFFAOYSA-N

INCHI

1S/C19H21ClN4/c20-15-5-3-4-14(12-15)13-22-18-19(8-10-21-11-9-19)24-17-7-2-1-6-16(17)23-18/h1-7,12,21,24H,8-11,13H2,(H,22,23)

Isomeric SMILES

C1CNCCC12C(=NCC3=CC(=CC=C3)Cl)NC4=CC=CC=C4N2

Molecular Weight

340.85

Reaxy-Rn

34084241

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=34084241&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Class Diazanaphthalenes
      • Subclass Benzodiazines

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Class: Diazanaphthalenes
• Subclass: Benzodiazines
• Intermediate Tree Nodes: Not available
• Direct Parent: Quinoxalines
• Alternative Parents: Benzylamines Secondary alkylarylamines Chlorobenzenes Piperidines Imidolactams Aryl chlorides Propargyl-type 1,3-dipolar organic compounds Dialkylamines Carboxamidines Azacyclic compounds Organochlorides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Quinoxaline - Benzylamine - Chlorobenzene - Halobenzene - Secondary aliphatic/aromatic amine - Aryl chloride - Aryl halide - Monocyclic benzene moiety - Piperidine - Imidolactam - Benzenoid - Azacycle - Secondary aliphatic amine - Carboxylic acid amidine - Amidine - Organic 1,3-dipolar compound - Secondary amine - Propargyl-type 1,3-dipolar organic compound - Organonitrogen compound - Organochloride - Organohalogen compound - Hydrocarbon derivative - Organic nitrogen compound - Amine - Aromatic heteropolycyclic compound
• Description: This compound belongs to the class of organic compounds known as quinoxalines. These are compounds containing a quinoxaline moiety, a bicyclic heterocycle made up of a benzene ring fused to a pyrazine 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

Associated Targets(Human)

MRC5 (9203 Activities)

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

Associated Targets(non-human)

Trypanosoma brucei brucei (13300 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: Solubility (25°C) In vitro Ethanol: 4 mg/mL warmed with 50ºC Water: bath (11.73 mM); DMSO: Insoluble; Water: Insoluble
• DMSO(mg / mL) Max Solubility: 68
• DMSO(mM) Max Solubility: 199.5012469
• Water(mg / mL) Max Solubility: ＜1
• Molecular Weight: 340.800 g/mol
• XLogP3: 3.200
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 340.145 Da
• Monoisotopic Mass: 340.145 Da
• Topological Polar Surface Area: 48.500 Ų
• Heavy Atom Count: 24
• Formal Charge: 0
• Complexity: 460.000
• 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