EHT 1864 - ≥98%(HPLC) , CAS No.754240-09-0

CAS: 754240-09-0 Cat. No.: E286802 Formule: C₂₅H₂₇F₃N₂O₄S•2HCl Poids moléculaire: 581.47 Numéro CE: 695-652-1 PubChem CID: 9938202

GRADE & PURITY ≥98%(HPLC)

Synonyms

EHT 1864 2HCl | SW220265-1 | BCP09829 | EHT1864 | EHT-1864 | 4H-Pyran-4-one, 2-(4-morpholinylmethyl)-5-((5-((7-(trifluoromethyl)-4-quinolinyl)thio)pentyl)oxy)-, dihydrochloride | AKOS024374992 | 754240-09-0 (HCl) | EHT 1864 is known as a Rac inhibitor, pa

Storage

Conserver à -20°C

Shipped In

Glacière + blocs de glace

Vue d’ensemble

EHT 1864 est un inhibiteur des petites GTPases de la famille Rac. L'EHT 1864 se lie directement à cette petite GTPase et l'empêche d'engager des effecteurs en aval essentiels à la transformation de la croissance. Les valeurs Kd sont de 40, 50, 60 et 230 nM pour Rac1, Rac1b, Rac2 et Rac3, respectivement. L'EHT 1864 inhibe également de manière puissante d'autres processus de transformation Rac-dépendants, la transformation de croissance médiée par Tiam1 et Ras. L'EHT 1864 empêche la production d'Aβ 40 et d'Aβ 42 in vivo.
L'EHT 1864 a été utilisée pour étudier la régulation de l'ubiquitylation de la protéine adaptatrice dishevelled-1 par l'activité de Rac1.

Specifications

Synonymes

EHT 1864 2HCl | SW220265-1 | BCP09829 | EHT1864 | EHT-1864 | 4H-Pyran-4-one, 2-(4-morpholinylmethyl)-5-((5-((7-(trifluoromethyl)-4-quinolinyl)thio)pentyl)oxy)-, dihydrochloride | AKOS024374992 | 754240-09-0 (HCl) | EHT 1864 is known as a Rac inhibitor, pa

Spécifications et pureté

≥98%(HPLC)

Mécanismes biochimiques et physiologiques

L'EHT 1864 inhibe la fonction Rac. Elle empêche la production d'Aβ40 et d'Aβ42 in vitro sans inhibition directe de la g-sécrétase. L'EHT 1864 induit la dissociation des nucléotides liés. L'inhibition de Rac induite par l'EHT 1864 empêche son association a

Conditions de stockage de stockage

Conserver à -20°C

Expédié en

Glacière + blocs de glace

Type d'action

INHIBITOR

Pureté

≥98%(HPLC)

Noms et identifiants

Pubchem Sid

488196450

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/488196450

Sourires canoniques

C1COCCN1CC2=CC(=O)C(=CO2)OCCCCCSC3=C4C=CC(=CC4=NC=C3)C(F)(F)F.Cl.Cl

IUPAC Name

2-(morpholin-4-ylmethyl)-5-[5-[7-(trifluoromethyl)quinolin-4-yl]sulfanylpentoxy]pyran-4-one;dihydrochloride

InChIKey

LSECOAJFCKFQJG-UHFFFAOYSA-N

INCHI

1S/C25H27F3N2O4S.2ClH/c26-25(27,28)18-4-5-20-21(14-18)29-7-6-24(20)35-13-3-1-2-10-33-23-17-34-19(15-22(23)31)16-30-8-11-32-12-9-30;;/h4-7,14-15,17H,1-3,8-13,16H2;2*1H

Isomères SMILES

C1COCCN1CC2=CC(=O)C(=CO2)OCCCCCSC3=C4C=CC(=CC4=NC=C3)C(F)(F)F.Cl.Cl

WGK Allemagne

3

PubChem CID

9938202

Poids moléculaire

581.47

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Classe Quinolines and derivatives

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Classe: Quinolines and derivatives
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Quinolines and derivatives
• Alternative Parents: Pyranones and derivatives Alkyl aryl ethers Alkylarylthioethers Aralkylamines Pyridines and derivatives Morpholines Benzenoids Heteroaromatic compounds Trialkylamines Cyclic ketones Sulfenyl compounds Oxacyclic compounds Azacyclic compounds Dialkyl ethers Hydrocarbon derivatives Hydrochlorides Organic oxides Alkyl fluorides Organofluorides
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Quinoline - Aryl thioether - Alkyl aryl ether - Pyranone - Alkylarylthioether - Aralkylamine - Morpholine - Oxazinane - Pyran - Pyridine - Benzenoid - Heteroaromatic compound - Cyclic ketone - Tertiary amine - Tertiary aliphatic amine - Oxacycle - Dialkyl ether - Ether - Azacycle - Sulfenyl compound - Thioether - Hydrochloride - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Organofluoride - Organohalogen compound - Organic oxygen compound - Hydrocarbon derivative - Alkyl fluoride - Amine - Alkyl halide - Organic nitrogen compound - Organic oxide - Aromatic heteropolycyclic compound
• Description: This compound belongs to the class of organic compounds known as quinolines and derivatives. These are compounds containing a quinoline moiety, which consists of a benzene ring fused to a pyrimidine ring to form benzo[b]azabenzene.
• 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

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RAC3 Tbio Ras-related C3 botulinum toxin substrate 3 (2 Activities)

Discover Target: RAC3

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CDC42 Tchem Cell division control protein 42 homolog (123 Activities)

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NIH3T3 (5395 Activities)

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Mécanismes d'action

Propriétés chimiques et physiques

• Solubilité: Dissolved in EtOH, maximum concentration (mg/ml): 2.1
• Sensibilité: Moisture sensitive
• Poids moléculaire: 581.500 g/mol
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 10
• Rotatable Bond Count: 10
• Exact Mass: 580.118 Da
• Monoisotopic Mass: 580.118 Da
• Topological Polar Surface Area: 86.200 Ų
• Heavy Atom Count: 37
• Formal Charge: 0
• Complexity: 770.000
• 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: 3

XLogP3