α-NETA - Moligand™, ≥98% , CAS No.115066-04-1

CAS: 115066-04-1 Cat. No.: N275326 Formule: C₁₆H₂₀INO Poids moléculaire: 369.24 PubChem CID: 11957648

GRADE & PURITY Moligand™, ≥98%

Synonyms

N 7906 | alpha-NETA | trimethyl-(3-naphthalen-1-yl-3-oxopropyl)azanium;iodide | SCHEMBL1320399 | alpha -NETA | SR-01000076032-1 | 2-(alpha-naphthoyl)ethyltrimethylammonium iodide | J-018232 | 2-(alpha-naphthoyl) ethyltrimethylammonium iodide | SR-01000076

Storage

A conserver à -20°C,Desséché

Shipped In

Glacière + blocs de glace

Vue d’ensemble

l'α-NETA est un inhibiteur puissant et non compétitif de la choline acétyltransférase (ChA) avec une CI50 de 9 μM. L'α-NETA est un antagoniste puissant de l'ALDH1A1 (CI50 = 0,04 µM) et du récepteur 1 de la chimiokine (CMKLR1).04 µM) et du récepteur de type chimiokine-1 (CMKLR1). L'α-NETA inhibe faiblement la cholinestérase (ChE ; IC50=84 µM) et l'acétylcholinestérase (AChE ; IC50=300 µM). L'α-NETA a une activité anticancéreuse

Specifications

Synonymes

N 7906 | alpha-NETA | trimethyl-(3-naphthalen-1-yl-3-oxopropyl)azanium;iodide | SCHEMBL1320399 | alpha -NETA | SR-01000076032-1 | 2-(alpha-naphthoyl)ethyltrimethylammonium iodide | J-018232 | 2-(alpha-naphthoyl) ethyltrimethylammonium iodide | SR-01000076

Spécifications et pureté

Moligand™, ≥98%

Conditions de stockage de stockage

A conserver à -20°C,Desséché

Expédié en

Glacière + blocs de glace

Grade

Moligand™

Type d'action

ANTAGONIST

Pureté

≥98%

Noms et identifiants

Sourires canoniques

C[N+](C)(C)CCC(=O)C1=CC=CC2=CC=CC=C21.[I-]

IUPAC Name

trimethyl-(3-naphthalen-1-yl-3-oxopropyl)azanium;iodide

InChIKey

QZXMJYVXMZJOAO-UHFFFAOYSA-M

INCHI

1S/C16H20NO.HI/c1-17(2,3)12-11-16(18)15-10-6-8-13-7-4-5-9-14(13)15;/h4-10H,11-12H2,1-3H3;1H/q+1;/p-1

Isomères SMILES

C[N+](C)(C)CCC(=O)C1=CC=CC2=CC=CC=C21.[I-]

CAS alternatif

31059-54-8

PubChem CID

11957648

Poids moléculaire

369.24

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Classe Naphthalenes

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Classe: Naphthalenes
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Naphthalenes
• Alternative Parents: Aryl alkyl ketones Beta-amino ketones Tetraalkylammonium salts Organic oxides Organic iodide salts Hydrocarbon derivatives Amines Organic cations
• Molecular Framework: Aromatic homopolycyclic compounds
• Substituents: Naphthalene - Aryl ketone - Aryl alkyl ketone - Beta-aminoketone - Tetraalkylammonium salt - Quaternary ammonium salt - Ketone - Hydrocarbon derivative - Organic iodide salt - Organic salt - Amine - Organooxygen compound - Organonitrogen compound - Organic nitrogen compound - Organic oxide - Organic oxygen compound - Organic cation - Aromatic homopolycyclic compound
• Description: This compound belongs to the class of organic compounds known as naphthalenes. These are compounds containing a naphthalene moiety, which consists of two fused benzene rings.
• 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

Cibles associées (humaines)

POLB Tchem DNA polymerase beta (23632 Activities)

Discover Target: POLB

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

ALDH1A1 Tchem Aldehyde dehydrogenase 1A1 (77053 Activities)

Discover Target: ALDH1A1

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

HEK293 (82097 Activities)

Explore this target

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

EHMT2 Tchem Histone-lysine N-methyltransferase, H3 lysine-9 specific 3 (93046 Activities)

Discover Target: EHMT2

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

TDP1 Tchem Tyrosyl-DNA phosphodiesterase 1 (345557 Activities)

Discover Target: TDP1

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

KDM4E Tchem Lysine-specific demethylase 4D-like (40243 Activities)

Discover Target: KDM4E

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

LMNA Tbio Prelamin-A/C (36751 Activities)

Discover Target: LMNA

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

BLM Tchem Bloom syndrome protein (4248 Activities)

Discover Target: BLM

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

HPGD Tchem 15-hydroxyprostaglandin dehydrogenase [NAD+] (24926 Activities)

Discover Target: HPGD

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

GMNN Tbio Geminin (128009 Activities)

Discover Target: GMNN

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

PMP22 Tbio Peripheral myelin protein 22 (699 Activities)

Discover Target: PMP22

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

MPHOSPH8 Tbio M-phase phosphoprotein 8 (656 Activities)

Discover Target: MPHOSPH8

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

Cibles associées (non humaines)

Cruzipain (33337 Activities)

Explore this target

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

Mapk1 MAP kinase ERK2 (650 Activities)

Discover Target: Mapk1

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

Plasmodium falciparum (966862 Activities)

Explore this target

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

Npsr1 Neuropeptide S receptor (260 Activities)

Discover Target: Npsr1

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

Txnrd1 Thioredoxin reductase 1, cytoplasmic (45279 Activities)

Discover Target: Txnrd1

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

Mapt Microtubule-associated protein tau (6 Activities)

Discover Target: Mapt

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

FTL Ferritin light chain (43324 Activities)

Discover Target: FTL

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

nfo Endonuclease 4 (425 Activities)

Discover Target: nfo

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

NS1 Nonstructural protein 1 (33327 Activities)

Discover Target: NS1

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

Mécanismes d'action

Propriétés chimiques et physiques

• Solubilité: Soluble in methanol
• Sensibilité: Moisture sensitive；Light sensitive
• Poids moléculaire: 369.240 g/mol
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 4
• Exact Mass: 369.059 Da
• Monoisotopic Mass: 369.059 Da
• Topological Polar Surface Area: 17.100 Ų
• Heavy Atom Count: 19
• Formal Charge: 0
• Complexity: 292.000
• 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: 2

XLogP3