GSK2798745 - ≥99% , CAS No.1419609-94-1

CAS: 1419609-94-1 Cat. No.: G646629 Fórmula: C₂₅H₂₈N₆O₃ Peso molecular: 460.53 PubChem CID: 71227359

GRADE & PURITY ≥99%

Synonyms

1-(((5S,7S)-3-(5-(2-Hydroxypropan-2-yl)pyrazin-2-yl)-7-methyl-2-oxo-1-oxa-3-azaspiro(4.5)decan-7-yl)methyl)-1hbenzo(d)imidazole-6-carbonitrile | URCMKDJBULWNAI-DQEYMECFSA-N | GSK2798745 | GSK-2798745 | 1-(((5S,7S)-3-(5-(2-hydroxypropan-2-yl)pyrazin-2-yl)-

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Visão geral

GSK2798745 is a potent, selective, and orally active transient receptor potential vanilloid 4 ( TRPV4 ) ion channel blocker with IC 50 s of 1.8 and 1.6 nM for hTRPV4 and rTRPV4, respectively. GSK2798745 can be used in cardiac and respiratory diseases research

In Vitro

GSK2798745 inhibits TRPV4 agonist-induced impedance reduction in human umbilical vein endothelial cells (HUVECs). MCE has not independently confirmed the accuracy of these methods. They are for reference only.

In Vivo

GSK2798745 inhibits TRPV4 agonist-mediated lung edema in rats in a dose-dependent manner. MCE has not independently confirmed the accuracy of these methods. They are for reference only. Animal Model: TRPV4-mediated lung edema in male Sprague-Dawley ratsDosage: 0, 16, 50, or 150 ng/kg Administration: Intravenous injection; 0, 16, 50, or 150 ng/kg per minute; 60 min Result: Inhibited the formation of pulmonary edema, with complete inhibition seen at the highest dose tested where the basal lung wet weight to body weight ratio was held to control levels (LW/BW=4.21).

Form:Solid

IC50& Target:IC50: 1.8 nM (hTRPV4) and 1.6 nM (rTRPV4)

Specifications

Sinónimos

1-(((5S,7S)-3-(5-(2-Hydroxypropan-2-yl)pyrazin-2-yl)-7-methyl-2-oxo-1-oxa-3-azaspiro(4.5)decan-7-yl)methyl)-1hbenzo(d)imidazole-6-carbonitrile | URCMKDJBULWNAI-DQEYMECFSA-N | GSK2798745 | GSK-2798745 | 1-(((5S,7S)-3-(5-(2-hydroxypropan-2-yl)pyrazin-2-yl)-

Especificações e pureza

≥99%

Mecanismos bioquímicos e fisiológicos

GSK2798745 is a potent, selective, and orally active transient receptor potential vanilloid 4 ( TRPV4 ) ion channel blocker with IC 50 s of 1.8 and 1.6 nM for hTRPV4 and rTRPV4, respectively. GSK2798745 can be used in cardiac and respiratory diseases rese

Condições de armazenamento de armazenamento

Store at -20°C

Enviado em

Ice chest + Ice pads

Este produto requer transporte de cadeia fria. Serviços terrestres e outros serviços econômicos não estão disponíveis.

Tipo de ação

INHIBITOR

Pureza

≥99%

Nomes e identificadores

Sorrisos canónicos

CC1(CCCC2(C1)CN(C(=O)O2)C3=NC=C(N=C3)C(C)(C)O)CN4C=NC5=C4C=C(C=C5)C#N

IUPAC Name

3-[[(5S,7S)-3-[5-(2-hydroxypropan-2-yl)pyrazin-2-yl]-7-methyl-2-oxo-1-oxa-3-azaspiro[4.5]decan-7-yl]methyl]benzimidazole-5-carbonitrile

InChIKey

URCMKDJBULWNAI-DQEYMECFSA-N

INCHI

1S/C25H28N6O3/c1-23(2,33)20-11-28-21(12-27-20)31-15-25(34-22(31)32)8-4-7-24(3,13-25)14-30-16-29-18-6-5-17(10-26)9-19(18)30/h5-6,9,11-12,16,33H,4,7-8,13-15H2,1-3H3/t24-,25-/m0/s1

SMILES isoméricas

C[C@@]1(CCC[C@]2(C1)CN(C(=O)O2)C3=NC=C(N=C3)C(C)(C)O)CN4C=NC5=C4C=C(C=C5)C#N

CAS alternativo

1419609-94-1

PubChem CID

71227359

Termos de entrada MeSH

3-(((5S,7S)-3-(5-(2-Hydroxypropan-2-yl)pyrazin-2-yl)-7-methyl-2-oxo-1-oxa-3-azaspiro(4.5)decan-7-yl)methyl)benzimidazole-5-carbonitrile;GSK2798745

Peso molecular

460.53

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Classe Azaspirodecane derivatives

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Classe: Azaspirodecane derivatives
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Azaspirodecane derivatives
• Alternative Parents: Benzimidazoles Benzenoids Pyrazines Oxazolidinones Imidolactams N-substituted imidazoles Tertiary alcohols Carbamate esters Heteroaromatic compounds Azacyclic compounds Oxacyclic compounds Nitriles Aromatic alcohols Carbonyl compounds Hydrocarbon derivatives Organic oxides
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Azaspirodecane - Benzimidazole - N-substituted imidazole - Oxazolidinone - Pyrazine - Benzenoid - Imidolactam - Heteroaromatic compound - Azole - Carbamic acid ester - Tertiary alcohol - Imidazole - Oxazolidine - Azacycle - Oxacycle - Carbonitrile - Nitrile - Cyanide - Organonitrogen compound - Organooxygen compound - Alcohol - Organic nitrogen compound - Carbonyl group - Aromatic alcohol - Organic oxygen compound - Hydrocarbon derivative - Organic oxide - Aromatic heteropolycyclic compound
• Descrição: This compound belongs to the class of organic compounds known as azaspirodecane derivatives. These are organic compounds containing a spirodecane moiety with at least one nitrogen atom.
• 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

Alvos associados (humanos)

TRPV4 Tchem Transient receptor potential cation channel subfamily V member 4 (3 Activities)

Discover Target: TRPV4

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

TRPV4 Tchem Transient receptor potential cation channel subfamily V member 4 (774 Activities)

Discover Target: TRPV4

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

Mecanismos de ação

Propriedades químicas e físicas

• Solubilidade: DMSO : 250 mg/mL (542.85 mM; Need ultrasonic)
• Peso molecular: 460.500 g/mol
• XLogP3: 2.000
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 4
• Exact Mass: 460.222 Da
• Monoisotopic Mass: 460.222 Da
• Topological Polar Surface Area: 117.000 Ų
• Heavy Atom Count: 34
• Formal Charge: 0
• Complexity: 844.000
• 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

Perguntas frequentes

What is the purity of this product?

This product is supplied at ≥99% purity (chemical assay). Lot-specific values are stated on the Certificate of Analysis.

How should this product be stored?

Store at ?20 °C. Freezer storage is required to maintain the specified shelf life.

What are the CAS number, molecular formula and molecular weight?

The CAS Number is 1419609-94-1, the molecular formula is C25H28N6O3, and the molecular weight is 460.53 g/mol. InChIKey URCMKDJBULWNAI-DQEYMECFSA-N.

How is this product shipped?

This product ships in an insulated container with ice pads. Unpack on arrival and transfer it to the storage condition stated above.

What documentation is provided?

Available product documentation, including Certificates of Analysis (COA), Safety Data Sheets (SDS), and specification sheets, is shown in the product document area. Document availability and access follow the current site policy.