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 Summenformel: C₁₈H₁₈F₂N₂O₄ Molekulargewicht: 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

Lagerung bei -20°C

Shipped In

Eistruhe + Eispads

Specifications

Synonyme

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-

Spezifikationen & Reinheit

Moligand™, ≥98%

Biochemische und physiologische Mechanismen

Beschreibung: IC50-Wert: 3 μM EMD638683 ist ein SGK1-Inhibitor Die Serum- und Glukokortikoid-induzierbare Kinase 1 (SGK1) wird durch Mineralokortikoide transkriptionell hochreguliert und durch Insulin aktiviert. EMD638683 könnte als Vorla

Storage

Lagerung bei -20°C

Verschickt in

Eistruhe + Eispads

Note

Moligand™

Aktionsart

INHIBITOR

Mechanismus der Wirkung

Inhibitor of serum/glucocorticoid regulated kinase 1

Reinheit

≥98%

Namen und Kennungen

Pubchem Sid

504770302

Pubchem Sid Url

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

Kanonisches Lächeln

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)

Isomere SMILES

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

Molekulargewicht

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
    • Klasse Benzene and substituted derivatives
      • Subclass Phenylacetamides

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Klasse: 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
• Beschreibung: 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

Zugehörige Ziele (menschlich)

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)

Chemische und physikalische Eigenschaften

• Löslichkeit: 25°C: DMSO
• Molekulargewicht: 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