GS967 - Moligand™, 10mM in DMSO , Inhibitor of Na v1.5, CAS No.1262618-39-2, Inhibitor of Na v1.5

CAS: 1262618-39-2 Cat. No.: G421101 分子式: C₁₄H₇F₆N₃O 分子量: 347.22

GRADE & PURITY Moligand™, 10mM in DMSO

Synonyms

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

Storage

Store at -80°C

Shipped In

Dry ice packs + Cold packs

概要

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

同義語

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

仕様と純度

Moligand™, 10mM in DMSO

生化学的・生理学的メカニズム

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

保管条件

Store at -80°C

入荷

Dry ice packs + Cold packs

この製品は冷冷この冷このこの製品の運送が必要です。地上およびその他の経済サービスは利用できません。

等級

Moligand™

アクションタイプ

INHIBITOR

作用メカニズム

Inhibitor of Na v1.5

製品の性質

ALogP

5.307

hba_count

3

回転可能な結合

4

名前と識別子

パブケム・シド

528764646

カノニカル・スマイル

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

異性体SMILES

C1=CC(=CC=C1C2=CN3C(=NN=C3C(F)(F)F)C=C2)OC(F)(F)F

MeSH用語

6-(4-(trifluoromethoxy)phenyl)-3-(trifluoromethyl)(1,2,4)triazolo(4,3-a)pyridine;GS-458967;GS-967;GS967

分子量

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
    • 分類 Pyridines and derivatives
      • Subclass Phenylpyridines

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• 分類: 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
• 説明: 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

関連ターゲット（人間）

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

Discover Target: SCN2A

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)

Discover Target: SCN5A

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)

Discover Target: SCN1A

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

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

Discover Target: SCN1A

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

KCNH2 Tclin HERG (29587 Activities)

Discover Target: KCNH2

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)

Discover Target: SCN5A

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

U2OS (164939 Activities)

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

HEK-293T (167025 Activities)

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

関連ターゲット（非人間）

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

Discover Target: Scn2a

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)

Discover Target: Scn3a

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)

Discover Target: Scn9a

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)

Discover Target: Scn8a

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

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

Discover Target: Scn10a

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

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

Discover Target: Scn4a

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

Oryctolagus cuniculus (11301 Activities)

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

Rattus norvegicus (775804 Activities)

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

Cynomolgus monkey (4946 Activities)

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

rep Replicase polyprotein 1ab (378 Activities)

Discover Target: rep

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

Liver microsome (341 Activities)

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作用メカニズム

化学的性質と物理的性質

• DMSO（mg / mL） 最大溶解度: 45
• DMSO（mM） 最大溶解度: 129.600829445308
• 水（mg / mL） 最大溶解度: ＜1
• 分子量: 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