GK921 - ≥98% , CAS No.1025015-40-0

CAS: 1025015-40-0 Cat. No.: G413442 Fórmula: C₂₁H₂₀N₄O Peso molecular: 344.41

GRADE & PURITY ≥98%

Synonyms

Pyrido[2,​3-​b]​pyrazine,3-​(2-​phenylethynyl)​-​2-​[2-​(1-​pyrrolidinyl)​ethoxy]​- | 3-(2-Phenylethynyl)-2-[2-(1-pyrrolidinyl)ethoxy]pyrido[2,3-b]pyrazine, 3-(Phenylethynyl)-2-(2-(pyrrolidin-1-yl)ethoxy)pyrido[3,2-b]pyrazine, GK 921, GK-921

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Specifications

Sinónimos

Pyrido[2,​3-​b]​pyrazine,3-​(2-​phenylethynyl)​-​2-​[2-​(1-​pyrrolidinyl)​ethoxy]​- | 3-(2-Phenylethynyl)-2-[2-(1-pyrrolidinyl)ethoxy]pyrido[2,3-b]pyrazine, 3-(Phenylethynyl)-2-(2-(pyrrolidin-1-yl)ethoxy)pyrido[3,2-b]pyrazine, GK 921, GK-921

Especificaciones y pureza

≥98%

Mecanismos bioquímicos y fisiológicos

GK921 is a transglutaminase 2 (TGase 2) inhibitor with an IC50 of 8.93 μM under a modified assay condition.GK921 is an orally active transglutaminase 2 (TG2, TGase 2) inhibitor (IC50 = 7.71 μM) that effectively inhibits TG2-mediated I-κBα and p53 polymeri

Condiciones de almacenamiento de almacenamiento

Store at -20°C

Enviado en

Ice chest + Ice pads

Este producto requiere envío en cadena de frío. Los servicios terrestres y otros servicios económicos no están disponibles.

Tipo de acción

INHIBITOR

Pureza

≥98%

Propiedades del producto

ALogP

3.998

hba_count

4

Enlace rotable

6

Nombres e identificadores

Pubchem Sid

488201742

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/488201742

Sonrisas canónicas

C1CCN(C1)CCOC2=NC3=C(N=CC=C3)N=C2C#CC4=CC=CC=C4

IUPAC Name

3-(2-phenylethynyl)-2-(2-pyrrolidin-1-ylethoxy)pyrido[2,3-b]pyrazine

InChIKey

MNYJJHBAEYKXEG-UHFFFAOYSA-N

INCHI

1S/C21H20N4O/c1-2-7-17(8-3-1)10-11-19-21(26-16-15-25-13-4-5-14-25)24-18-9-6-12-22-20(18)23-19/h1-3,6-9,12H,4-5,13-16H2

Isómeros SMILES

C1CCN(C1)CCOC2=NC3=C(N=CC=C3)N=C2C#CC4=CC=CC=C4

Peso molecular

344.41

Reaxy-Rn

21826827

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=21826827&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Clase Pyridopyrazines

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Clase: Pyridopyrazines
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Pyridopyrazines
• Alternative Parents: Alkyl aryl ethers Pyridines and derivatives Pyrazines N-alkylpyrrolidines Benzene and substituted derivatives Heteroaromatic compounds Trialkylamines Azacyclic compounds Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Pyridopyrazine - Alkyl aryl ether - Monocyclic benzene moiety - Pyrazine - Pyridine - Benzenoid - N-alkylpyrrolidine - Heteroaromatic compound - Pyrrolidine - Tertiary aliphatic amine - Tertiary amine - Azacycle - Ether - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Organic oxygen compound - Organic nitrogen compound - Amine - Aromatic heteropolycyclic compound
• Descripción: This compound belongs to the class of organic compounds known as pyridopyrazines. These are aromatic heteropolycyclic compounds containing a pyridine 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

Objetivos asociados (humanos)

A549 (127892 Activities)

Explore this target

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

Objetivos asociados (no humanos)

Hdac6 Histone deacetylase 6 (222 Activities)

Discover Target: Hdac6

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

Mecanismos de acción

Propiedades químicas y físicas

• Solubilidad: Solubility (25°C) In vitro DMSO: 33 mg/mL (95.81 mM)
• DMSO (mg/ml) Solubilidad máxima: 33
• DMSO (mM) Solubilidad máxima: 95.8160332162248
• Agua (mg/ml) Solubilidad máxima: -1
• Peso molecular: 344.400 g/mol
• XLogP3: 3.400
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 6
• Exact Mass: 344.164 Da
• Monoisotopic Mass: 344.164 Da
• Topological Polar Surface Area: 51.100 Ų
• Heavy Atom Count: 26
• Formal Charge: 0
• Complexity: 501.000
• 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