Eliprodil - ≥98%(HPLC) , CAS No.119431-25-3

CAS: 119431-25-3 Cat. No.: E137445 Peso molecular: 347.85 Número EC: 634-251-8

GRADE & PURITY ≥98%(HPLC)

Synonyms

?-(4-Chlorophenyl)-4-[(4-fluorophenyl)methyl]-1-piperidineethanol | BDBM50079387 | SL-82,0715; SL82,0715; SL 82,0715; SL-820715; SL820715; SL 820715 | Eliprodil, >=98% (HPLC), powder | HY-12881 | YW62A6TW29 | 1-Piperidineethanol, alpha-(4-chlorophenyl)-4-

Storage

Store at 2-8°C

Shipped In

Wet ice

Descripción general

Eliprodil is a non-competitive NMDA receptor antagonist which acts at the polyamine modulatory site. Eliprodil is selective for NMDA epsilon 2 (NR2B-containing receptors) over NR2A- and NR2C-containing receptors (IC50 values are 1, > 100 and > 100 μM respectively) in addition to acting as a Sigma Receptor (σ1 ligand) (Ki = 0.013 μM). Eliprodil antagonizes neuronal voltage-gated Ca2+ channels and selectively inhibits the rapid component of the delayed rectifier K+ current (IKr). Furthermore, Eliprodil is reported to act as a neuroprotective.

Specifications

Sinónimos

?-(4-Chlorophenyl)-4-[(4-fluorophenyl)methyl]-1-piperidineethanol | BDBM50079387 | SL-82, 0715; SL82, 0715; SL 82, 0715; SL-820715; SL820715; SL 820715 | Eliprodil, >=98% (HPLC), powder | HY-12881 | YW62A6TW29 | 1-Piperidineethanol, alpha-(4-chlorophenyl)-4-

Especificaciones y pureza

≥98%(HPLC)

Mecanismos bioquímicos y fisiológicos

Non-competitive NMDA receptor antagonist that acts at the polyamine modulatory site. Selective for GluN2B (formally NR2B)- over GluN2A (NR2A)- and GluN2C (NR2C)-containing receptors (IC50values are 1, > 100 and > 100μM respectively). Alsoσ1ligand (Ki= 0.0

Condiciones de almacenamiento de almacenamiento

Store at 2-8°C

Enviado en

Wet ice

Este producto requiere envío en cadena de frío. Los servicios terrestres y otros servicios económicos no están disponibles.

Pureza

≥98%(HPLC)

Nombres e identificadores

• Sonrisas canónicas: C1CN(CCC1CC2=CC=C(C=C2)F)CC(C3=CC=C(C=C3)Cl)O
• IUPAC Name: 1-(4-chlorophenyl)-2-[4-[(4-fluorophenyl)methyl]piperidin-1-yl]ethanol
• InChIKey: GGUSQTSTQSHJAH-UHFFFAOYSA-N
• INCHI: 1S/C20H23ClFNO/c21-18-5-3-17(4-6-18)20(24)14-23-11-9-16(10-12-23)13-15-1-7-19(22)8-2-15/h1-8,16,20,24H,9-14H2
• Isómeros SMILES: C1CN(CCC1CC2=CC=C(C=C2)F)CC(C3=CC=C(C=C3)Cl)O
• WGK Alemania: 3
• Peso molecular: 347.85
• Reaxy-Rn: 7717696
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=7717696&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Clase Piperidines
      • Subclass Benzylpiperidines

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Clase: Piperidines
• Subclass: Benzylpiperidines
• Intermediate Tree Nodes: Not available
• Direct Parent: 4-benzylpiperidines
• Alternative Parents: Fluorobenzenes Chlorobenzenes Aralkylamines Aryl fluorides Aryl chlorides Trialkylamines Secondary alcohols 1,2-aminoalcohols Azacyclic compounds Organopnictogen compounds Organofluorides Organochlorides Hydrocarbon derivatives Aromatic alcohols
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: 4-benzylpiperidine - Chlorobenzene - Fluorobenzene - Halobenzene - Aralkylamine - Aryl chloride - Aryl fluoride - Aryl halide - Monocyclic benzene moiety - Benzenoid - Tertiary amine - Secondary alcohol - 1,2-aminoalcohol - Tertiary aliphatic amine - Azacycle - Organooxygen compound - Organochloride - Organohalogen compound - Organopnictogen compound - Organic oxygen compound - Organic nitrogen compound - Amine - Alcohol - Organofluoride - Aromatic alcohol - Hydrocarbon derivative - Organonitrogen compound - Aromatic heteromonocyclic compound
• Descripción: This compound belongs to the class of organic compounds known as 4-benzylpiperidines. These are organic compounds containing a benzyl group attached to the 4-position of a piperidine.
• 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

Objetivos asociados (humanos)

GRIN2B Tclin Glutamate receptor ionotropic, NMDA 2B (8 Activities)

Discover Target: GRIN2B

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

CHRM1 Tclin Muscarinic acetylcholine receptor M1 (12690 Activities)

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

TSHR Tclin Thyroid stimulating hormone receptor (29986 Activities)

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

DRD1 Tclin Dopamine D1 receptor (9720 Activities)

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

GRIN1 Tclin Glutamate (NMDA) receptor subunit zeta 1 (122 Activities)

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

KCNH2 Tclin HERG (29587 Activities)

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

GRIN2B Tclin Glutamate [NMDA] receptor subunit epsilon 2 (467 Activities)

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

ALOX15B Tchem Arachidonate 15-lipoxygenase, type II (7244 Activities)

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

MTOR Tclin Serine/threonine-protein kinase mTOR (13850 Activities)

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

NFKB1 Tclin Nuclear factor NF-kappa-B p105 subunit (1459 Activities)

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

ALOX15 Tchem Arachidonate 15-lipoxygenase (7108 Activities)

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

CYP3A4 Tclin Cytochrome P450 3A4 (53859 Activities)

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

GRIN2C Tclin Glutamate [NMDA] receptor subunit epsilon 3 (47 Activities)

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TP53 Tchem Cellular tumor antigen p53 (48468 Activities)

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U2OS (164939 Activities)

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HEK293 (82097 Activities)

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HepG2 (196354 Activities)

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

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

BLM Tchem Bloom syndrome protein (4248 Activities)

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THPO Tbio Thrombopoietin (834 Activities)

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GMNN Tbio Geminin (128009 Activities)

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CBX1 Tbio Chromobox protein homolog 1 (92434 Activities)

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ATAD5 Tbio ATPase family AAA domain-containing protein 5 (122566 Activities)

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

GRIN1 Tclin Glutamate NMDA receptor; GRIN1/GRIN2B (726 Activities)

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

HEK-293T (167025 Activities)

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Objetivos asociados (no humanos)

Hdac6 Histone deacetylase 6 (222 Activities)

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Saccharomyces cerevisiae (19171 Activities)

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Plasmodium falciparum (966862 Activities)

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Mus musculus (284745 Activities)

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Rattus (17 Activities)

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Rattus norvegicus (775804 Activities)

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SIGMAR1 Sigma-1 receptor (3326 Activities)

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Npsr1 Neuropeptide S receptor (260 Activities)

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rep Replicase polyprotein 1ab (378 Activities)

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Txnrd1 Thioredoxin reductase 1, cytoplasmic (45279 Activities)

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

Impa1 Inositol monophosphatase 1 (16203 Activities)

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

FTL Ferritin light chain (43324 Activities)

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PGAM 2,3-bisphosphoglycerate-independent phosphoglycerate mutase (46 Activities)

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

Adra1b Adrenergic receptor alpha-1 (5652 Activities)

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Grin1 Glutamate NMDA receptor; Grin1/Grin2a (798 Activities)

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

Grin1 Glutamate NMDA receptor; Grin1/Grin2c (1127 Activities)

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Tmem97 Sigma intracellular receptor 2 (922 Activities)

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Mecanismos de acción

Propiedades químicas y físicas

• Solubilidad: Solvent:DMSO, Max Conc. mg/mL: 8.7, Max Conc. mM: 25
• Peso molecular: 347.900 g/mol
• XLogP3: 4.500
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 5
• Exact Mass: 347.145 Da
• Monoisotopic Mass: 347.145 Da
• Topological Polar Surface Area: 23.500 Ų
• Heavy Atom Count: 24
• Formal Charge: 0
• Complexity: 359.000
• 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