EMD638683 - Moligand™, ≥98% , Inhibitor of serum/glucocorticoid regulated kinase 1, CAS No.1181770-72-8, Inhibitor of serum/glucocorticoid regulated kinase 1

CAS: 1181770-72-8 Cat. No.: E127679 Fórmula: C₁₈H₁₈F₂N₂O₄ Peso molecular: 364.34

GRADE & PURITY Moligand™, ≥98%

Synonyms

A925647 | Z3247511913 | BCP29409 | EMD 638683; EMD-638683 | C18H18F2N2O4 | HY-15193 | 1181770-72-8 | 2-(3,5-DIFLUOROPHENYL)-N'-(2-ETHYL-4-HYDROXY-3-METHYLBENZOYL)-2-HYDROXYACETOHYDRAZIDE | EN300-19790884 | D71037 | GTPL9407 | N'-[2-(3,5-difluorophenyl)-2-

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Specifications

Sinónimos

A925647 | Z3247511913 | BCP29409 | EMD 638683; EMD-638683 | C18H18F2N2O4 | HY-15193 | 1181770-72-8 | 2-(3,5-DIFLUOROPHENYL)-N'-(2-ETHYL-4-HYDROXY-3-METHYLBENZOYL)-2-HYDROXYACETOHYDRAZIDE | EN300-19790884 | D71037 | GTPL9407 | N'-[2-(3,5-difluorophenyl)-2-

Especificações e pureza

Moligand™, ≥98%

Mecanismos bioquímicos e fisiológicos

EMD638683 is an SGK1 inhibitor. EMD638683 inhibits phosphorylation of NDRG1 (downstream regulatory gene 1 of N-Myc), which requires the addition of 3.35 μ M EMD638683 to cell culture medium to achieve half maximal effect (IC50). EMD638683 also has inhibit

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.

Grau

Moligand™

Tipo de ação

INHIBITOR

Mecanismo de ação

Inhibitor of serum/glucocorticoid regulated kinase 1

Pureza

≥98%

Nomes e identificadores

Pubchem Sid

504770302

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/504770302

Sorrisos canónicos

CCC1=C(C=CC(=C1C)O)C(=O)NNC(=O)C(C2=CC(=CC(=C2)F)F)O

IUPAC Name

N'-[2-(3,5-difluorophenyl)-2-hydroxyacetyl]-2-ethyl-4-hydroxy-3-methylbenzohydrazide

InChIKey

SSNAPUUWBPZGOY-UHFFFAOYSA-N

INCHI

1S/C18H18F2N2O4/c1-3-13-9(2)15(23)5-4-14(13)17(25)21-22-18(26)16(24)10-6-11(19)8-12(20)7-10/h4-8,16,23-24H,3H2,1-2H3,(H,21,25)(H,22,26)

SMILES isoméricas

CCC1=C(C=CC(=C1C)O)C(=O)NNC(=O)C(C2=CC(=CC(=C2)F)F)O

Peso molecular

364.34

Reaxy-Rn

21240670

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=21240670&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Classe Benzene and substituted derivatives
      • Subclass Phenylacetamides

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Classe: Benzene and substituted derivatives
• Subclass: Phenylacetamides
• Intermediate Tree Nodes: Not available
• Direct Parent: Phenylacetamides
• Alternative Parents: m-Toluamides Benzoic acids and derivatives Ortho cresols Benzoyl derivatives Fluorobenzenes 1-hydroxy-2-unsubstituted benzenoids Aryl fluorides Secondary alcohols Carboxylic acid hydrazides Organonitrogen compounds Organofluorides Organic oxides Hydrocarbon derivatives Carbonyl compounds Aromatic alcohols
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Phenylacetamide - Benzoic acid or derivatives - M-toluamide - Toluamide - Benzoyl - O-cresol - 1-hydroxy-2-unsubstituted benzenoid - Toluene - Phenol - Fluorobenzene - Halobenzene - Aryl fluoride - Aryl halide - Secondary alcohol - Carboxylic acid hydrazide - Carboxylic acid derivative - Alcohol - Organohalogen compound - Organofluoride - Organonitrogen compound - Organooxygen compound - Aromatic alcohol - Carbonyl group - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organic nitrogen compound - Aromatic homomonocyclic compound
• Descrição: This compound belongs to the class of organic compounds known as phenylacetamides. These are amide derivatives of phenylacetic acids.
• 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)

SGK1 Tchem Serine/threonine-protein kinase Sgk1 (1 Activities)

Discover Target: SGK1

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

Propriedades químicas e físicas

• Solubilidade: 25°C: DMSO
• Peso molecular: 364.300 g/mol
• XLogP3: 2.800
• Hydrogen Bond Donor Count: 4
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 4
• Exact Mass: 364.123 Da
• Monoisotopic Mass: 364.123 Da
• Topological Polar Surface Area: 98.700 Ų
• Heavy Atom Count: 26
• Formal Charge: 0
• Complexity: 498.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 1
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 1