GS967 - Moligand™, ≥99% , Inhibitor of Na v1.5, CAS No.1262618-39-2, Inhibitor of Na v1.5

CAS: 1262618-39-2 Cat. No.: G413260 Molecular Weight: 347.22

GRADE & PURITY Moligand™, ≥99%

Synonyms

GS4589671,​2,​4-​Triazolo[4,​3-​a]​pyridine,6-​[4-​(trifluoromethoxy)​phenyl]​-​3-​(trifluoromethyl)​-

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Overview

Information

GS967 GS967 (GS458967) is a potent and selective inhibitor of late I Na with anti-arrhythmic actions.

Targets

late INa 0.13 μM

In vitro

GS967 (3 μM) has no significant effect on L- or T-type calcium channel currents or Na+-Ca2+ exchanger current (INCX), and 1 μM GS967 has minimal or no effect on the ATP-inhibited K+ current or on human cardiac ion channels expressed in human embryonic kidney 293 or Chinese hamster ovary cells. GS967 is a novel sodium channel modulatorspecifically developed to inhibit persistent sodium current, with a 42-fold preference for persistent as opposed to peakcurrent inhibition.

In vivo

GS967 protects against seizures and prematurelethality in vivo. Chronic GS967 does not cause overt behavioraltoxicity or sedation in wild-type mice at theeffective anticonvulsant dose. GS967 suppresses arrhythmogenicity evoked by ischemia, hypokalemia, and catecholamines in canine and porcine models.

Specifications

Synonyms

GS4589671, ​2, ​4-​Triazolo[4, ​3-​a]​pyridine, 6-​[4-​(trifluoromethoxy)​phenyl]​-​3-​(trifluoromethyl)​-

Specifications & Purity

Moligand™, ≥99%

Biochemical and Physiological Mechanisms

GS967 (GS458967) is a potent and selective inhibitor of late I_Na with anti-arrhythmic actions.

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

Mechanism of action

Inhibitor of Na v1.5

Purity

≥99%

Product Properties

• ALogP: 5.307
• hba_count: 3
• Rotatable Bond: 4

Names and Identifiers

• Pubchem Sid: 504771656
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504771656
• Canonical Smiles: C1=CC(=CC=C1C2=CN3C(=NN=C3C(F)(F)F)C=C2)OC(F)(F)F
• IUPAC Name: 6-[4-(trifluoromethoxy)phenyl]-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridine
• InChIKey: FEVBKJITJDHASC-UHFFFAOYSA-N
• INCHI: 1S/C14H7F6N3O/c15-13(16,17)12-22-21-11-6-3-9(7-23(11)12)8-1-4-10(5-2-8)24-14(18,19)20/h1-7H
• Isomeric SMILES: C1=CC(=CC=C1C2=CN3C(=NN=C3C(F)(F)F)C=C2)OC(F)(F)F
• MeSH Entry Terms: 6-(4-(trifluoromethoxy)phenyl)-3-(trifluoromethyl)(1,2,4)triazolo(4,3-a)pyridine;GS-458967;GS-967;GS967
• Molecular Weight: 347.22
• Reaxy-Rn: 21012437
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=21012437&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Class Pyridines and derivatives
      • Subclass Phenylpyridines

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Class: Pyridines and derivatives
• Subclass: Phenylpyridines
• Intermediate Tree Nodes: Not available
• Direct Parent: Phenylpyridines
• Alternative Parents: Triazolopyridines Phenoxy compounds Phenol ethers Triazoles Heteroaromatic compounds Trihalomethanes Azacyclic compounds Organooxygen compounds Organonitrogen compounds Organofluorides Hydrocarbon derivatives Alkyl fluorides
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: 3-phenylpyridine - Triazolopyridine - Phenoxy compound - Phenol ether - Monocyclic benzene moiety - Benzenoid - Azole - Triazole - 1,2,4-triazole - Heteroaromatic compound - Trihalomethane - Azacycle - Alkyl halide - Organic oxygen compound - Organooxygen compound - Organonitrogen compound - Organofluoride - Organohalogen compound - Organic nitrogen compound - Halomethane - Hydrocarbon derivative - Alkyl fluoride - Aromatic heteropolycyclic compound
• Description: This compound belongs to the class of organic compounds known as phenylpyridines. These are polycyclic aromatic compounds containing a benzene ring linked to a pyridine ring through a CC or CN bond.
• 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)

SCN2A Tclin Sodium channel protein type 2 subunit alpha (2 Activities)

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Activity Type	Activity Value -log(M)	Mechanism of Action	Activity Reference	Publications (PubMed IDs)

SCN5A Tclin Sodium channel protein type 5 subunit alpha (4 Activities)

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Activity Type	Activity Value -log(M)	Mechanism of Action	Activity Reference	Publications (PubMed IDs)

SCN1A Tclin Sodium channel protein type 1 subunit alpha (1 Activities)

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SCN1A Tclin Sodium channel protein type I alpha subunit (483 Activities)

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

KCNH2 Tclin HERG (29587 Activities)

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

SCN5A Tclin Sodium channel protein type V alpha subunit (3462 Activities)

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

U2OS (164939 Activities)

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HEK-293T (167025 Activities)

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Associated Targets(non-human)

Scn2a Sodium channel protein type II alpha subunit (191 Activities)

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

Scn3a Sodium channel protein type III alpha subunit (24 Activities)

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

Scn9a Sodium channel protein type IX alpha subunit (69 Activities)

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

Scn8a Sodium channel protein type VIII alpha subunit (53 Activities)

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Scn10a Sodium channel protein type X alpha subunit (425 Activities)

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Scn4a Sodium channel protein type IV alpha subunit (55 Activities)

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Oryctolagus cuniculus (11301 Activities)

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Rattus norvegicus (775804 Activities)

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Cynomolgus monkey (4946 Activities)

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rep Replicase polyprotein 1ab (378 Activities)

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Liver microsome (341 Activities)

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Mechanisms of Action

Chemical and Physical Properties

• Solubility: Solubility (25°C) In vitro Ethanol: 46 mg/mL (132.48 mM); DMSO: 45 mg/mL (129.6 mM); Water: Insoluble
• DMSO(mg / mL) Max Solubility: 45
• DMSO(mM) Max Solubility: 129.600829445308
• Water(mg / mL) Max Solubility: ＜1
• Molecular Weight: 347.210 g/mol
• XLogP3: 4.900
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 9
• Rotatable Bond Count: 2
• Exact Mass: 347.049 Da
• Monoisotopic Mass: 347.049 Da
• Topological Polar Surface Area: 39.400 Ų
• Heavy Atom Count: 24
• Formal Charge: 0
• Complexity: 435.000
• 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