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 Molecular Weight: 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

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-

Specifications & Purity

Moligand™, ≥98%

Biochemical and Physiological Mechanisms

Description: IC50 Value: 3 μM EMD638683 is a SGK1 inhibitor.The serum- and glucocorticoid-inducible kinase 1 (SGK1) is transcriptionally upregulated by mineralocorticoids and activated by insulin. EMD638683 could serve as a template fo

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

This product requires cold chain shipping. Ground and other economy services are not available.

Grade

Moligand™

Action Type

INHIBITOR

Mechanism of action

Inhibitor of serum/glucocorticoid regulated kinase 1

Purity

≥98%

Names and Identifiers

• Pubchem Sid: 504770302
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504770302
• Canonical Smiles: 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)
• Isomeric SMILES: CCC1=C(C=CC(=C1C)O)C(=O)NNC(=O)C(C2=CC(=CC(=C2)F)F)O
• Molecular Weight: 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
    • Class Benzene and substituted derivatives
      • Subclass Phenylacetamides

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Class: 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
• Description: 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

Associated Targets(Human)

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)

Chemical and Physical Properties

• Solubility: 25°C: DMSO
• Molecular Weight: 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