A 484954 - ≥98%(HPLC) , CAS No.142557-61-7

CAS: 142557-61-7 Cat. No.: A288912 Fórmula: C₁₃H₁₅N₅O₃ Peso molecular: 289.29 Número CE: 802-826-4

GRADE & PURITY ≥98%(HPLC)

Synonyms

7-amino-1-cyclopropyl-3-ethyl-2,4-dioxo-1,2,3,4-tetrahydropyrido[2,3-d]pyrimidine-6-carboxamide | A 484954 | HY-110096 | BCP28798 | Kinome_3822 | NCGC00370744-05 | A-484954;A484954 | EKI | 7-amino-1-cyclopropyl-3-ethyl-2,4-dioxo-1H,2H,3H,4H-pyrido[2,3-d]p

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Visão geral

Application

A-484954 has been used a selective and potent inhibitor to inhibit eEF2K (eukaryotic elongation factor 2 kinase), in order to check the enhancement of synaptic transmission in the stratum radiatum of the hippocampal CA1 region. It has also been used as an eEF2K inhibitor to monitor real-time luminescence of U2OS Arntl::dLUC cells.

Specifications

Sinónimos

7-amino-1-cyclopropyl-3-ethyl-2,4-dioxo-1,2,3,4-tetrahydropyrido[2,3-d]pyrimidine-6-carboxamide | A 484954 | HY-110096 | BCP28798 | Kinome_3822 | NCGC00370744-05 | A-484954;A484954 | EKI | 7-amino-1-cyclopropyl-3-ethyl-2,4-dioxo-1H,2H,3H,4H-pyrido[2,3-d]p

Especificações e pureza

≥98%(HPLC)

Mecanismos bioquímicos e fisiológicos

Inhibitor of eukaryotic elongation factor-2 (eEF-2) kinase (IC50= 0.28μM in enzymatic assay). Reduces eEF-2 phosphorylation with little effect on cancer cell growth.A-484954 is a potent, selective inhibitor of eukaryotic longation factor-2 kinase (eEF2K).

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

≥98%(HPLC)

Nomes e identificadores

• Pubchem Sid: 528762970
• Sorrisos canónicos: CCN1C(=O)C2=CC(=C(N=C2N(C1=O)C3CC3)N)C(=O)N
• IUPAC Name: 7-amino-1-cyclopropyl-3-ethyl-2,4-dioxopyrido[2,3-d]pyrimidine-6-carboxamide
• InChIKey: HWODCHXORCTEGU-UHFFFAOYSA-N
• INCHI: 1S/C13H15N5O3/c1-2-17-12(20)8-5-7(10(15)19)9(14)16-11(8)18(13(17)21)6-3-4-6/h5-6H,2-4H2,1H3,(H2,14,16)(H2,15,19)
• SMILES isoméricas: CCN1C(=O)C2=CC(=C(N=C2N(C1=O)C3CC3)N)C(=O)N
• WGK Alemanha: 3
• Peso molecular: 289.29
• Reaxy-Rn: 24524478
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=24524478&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Classe Pyridopyrimidines
      • Subclass Pyrido[2,3-d]pyrimidines

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Classe: Pyridopyrimidines
• Subclass: Pyrido[2,3-d]pyrimidines
• Intermediate Tree Nodes: Not available
• Direct Parent: Pyrido[2,3-d]pyrimidines
• Alternative Parents: Pyrimidinecarboxamides Pyridinecarboxylic acids and derivatives Pyrimidones Aminopyridines and derivatives Imidolactams Vinylogous amides Heteroaromatic compounds Ureas Primary carboxylic acid amides Amino acids and derivatives Lactams Azacyclic compounds Hydrocarbon derivatives Organic oxides Organooxygen compounds Primary amines
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Pyrido[2,3-d]pyrimidine - Pyridine carboxylic acid or derivatives - Pyrimidinecarboxamide - Aminopyridine - Pyrimidone - Pyridine - Pyrimidine - Imidolactam - Heteroaromatic compound - Vinylogous amide - Amino acid or derivatives - Carboxamide group - Lactam - Primary carboxylic acid amide - Urea - Carboxylic acid derivative - Azacycle - Primary amine - Organooxygen compound - Organonitrogen compound - Organic nitrogen compound - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Amine - Aromatic heteropolycyclic compound
• Descrição: This compound belongs to the class of organic compounds known as pyrido[2,3-d]pyrimidines. These are compounds containing the pyrido[2,3-d]pyrimidine ring system, which is a pyridopyrimidine isomer with three ring nitrogen atoms at the 1-, 3-, and 8- position.
• 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)

AKT3 Tchem Serine/threonine-protein kinase AKT3 (3157 Activities)

Discover Target: AKT3

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

PIM1 Tchem Serine/threonine-protein kinase PIM1 (9629 Activities)

Discover Target: PIM1

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

PLK1 Tchem Serine/threonine-protein kinase PLK1 (28605 Activities)

Discover Target: PLK1

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

KDR Tclin Vascular endothelial growth factor receptor 2 (20924 Activities)

Discover Target: KDR

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

CHEK1 Tchem Serine/threonine-protein kinase Chk1 (6846 Activities)

Discover Target: CHEK1

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

EEF2K Tchem Serine/threonine-protein kinase EEF2K (1246 Activities)

Discover Target: EEF2K

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

MDA-MB-231 (73002 Activities)

Explore this target

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

MDA-MB-436 (532 Activities)

Explore this target

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

Alvos associados (não humanos)

rep Replicase polyprotein 1ab (378 Activities)

Discover Target: rep

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

Eef2k Eukaryotic elongation factor 2 kinase (2 Activities)

Discover Target: Eef2k

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

Mecanismos de ação

Propriedades químicas e físicas

• Solubilidade: Solvent:DMSO, Max Conc. mg/mL: 2.89, Max Conc. mM: 10
• Peso molecular: 289.290 g/mol
• XLogP3: 0.100
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 3
• Exact Mass: 289.117 Da
• Monoisotopic Mass: 289.117 Da
• Topological Polar Surface Area: 123.000 Ų
• Heavy Atom Count: 21
• Formal Charge: 0
• Complexity: 492.000
• 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