SN6 - ≥98% , CAS No.415697-08-4

CAS: 415697-08-4 Cat. No.: S303682 Fórmula: C₂₀H₂₂N₂O₅S Peso molecular: 402.46 PubChem CID: 10222761

GRADE & PURITY ≥98%

Synonyms

BCP32885 | Ethyl 2-(4-((4-nitrobenzyl)oxy)benzyl)thiazolidine-4-carboxylate | N16889 | BRD-A14316475-001-01-5 | HMS3677K09 | SN-6 | HY-107658 | DTXSID70436978 | HMS3413K09 | HMS3268P11 | SN 6; SN6 | SN-6, >=98% (HPLC) | AKOS024456975 | NCGC00092323-01 | S

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Descripción general

SN-6 has been used as a selective Na+/Ca++ exchanger (NCX) inhibitor to study its neuroprotective effects on axonal injury in mice.

Specifications

Sinónimos

BCP32885 | Ethyl 2-(4-((4-nitrobenzyl)oxy)benzyl)thiazolidine-4-carboxylate | N16889 | BRD-A14316475-001-01-5 | HMS3677K09 | SN-6 | HY-107658 | DTXSID70436978 | HMS3413K09 | HMS3268P11 | SN 6; SN6 | SN-6, >=98% (HPLC) | AKOS024456975 | NCGC00092323-01 | S

Especificaciones y pureza

≥98%

Mecanismos bioquímicos y fisiológicos

Selective Na+/Ca2+-exchange (NCX) inhibitor; displays some selectivity for NCX1. IC50values are 2.9, 16 and 8.6μM for inhibition of intracellular Na+-dependent45Ca2+uptake by cells expressing NCX1, NCX2 and NCX3 respectively. Has some affinity for mACh re

Condiciones de almacenamiento de almacenamiento

Store at -20°C

Enviado en

Ice chest + Ice pads

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

Pureza

≥98%

Nombres e identificadores

• Pubchem Sid: 504765339
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504765339
• Sonrisas canónicas: CCOC(=O)C1CSC(N1)CC2=CC=C(C=C2)OCC3=CC=C(C=C3)[N+](=O)[O-]
• IUPAC Name: ethyl 2-[[4-[(4-nitrophenyl)methoxy]phenyl]methyl]-1,3-thiazolidine-4-carboxylate
• InChIKey: ZVYIJXLMBWCGHP-UHFFFAOYSA-N
• INCHI: 1S/C20H22N2O5S/c1-2-26-20(23)18-13-28-19(21-18)11-14-5-9-17(10-6-14)27-12-15-3-7-16(8-4-15)22(24)25/h3-10,18-19,21H,2,11-13H2,1H3
• Isómeros SMILES: CCOC(=O)C1CSC(N1)CC2=CC=C(C=C2)OCC3=CC=C(C=C3)[N+](=O)[O-]
• PubChem CID: 10222761
• Peso molecular: 402.46

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic acids and derivatives
    • Clase Carboxylic acids and derivatives
      • Subclass Amino acids, peptides, and analogues
        • Level5 Amino acids and derivatives
          • Level6 Alpha amino acids and derivatives
            • Level7 Alpha amino acid esters

• Kingdom: Organic compounds
• Superclass: Organic acids and derivatives
• Clase: Carboxylic acids and derivatives
• Subclass: Amino acids, peptides, and analogues
• Intermediate Tree Nodes: Amino acids and derivatives - Alpha amino acids and derivatives
• Direct Parent: Alpha amino acid esters
• Alternative Parents: Nitrobenzenes Nitroaromatic compounds Phenoxy compounds Phenol ethers Alkyl aryl ethers Thiazolidines Carboxylic acid esters Thiohemiaminal derivatives Azacyclic compounds Secondary amines Dialkylthioethers Monocarboxylic acids and derivatives Organic oxoazanium compounds Propargyl-type 1,3-dipolar organic compounds Hydrocarbon derivatives Organic salts Organic oxides Carbonyl compounds Organic cations
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Alpha-amino acid ester - Nitrobenzene - Phenoxy compound - Nitroaromatic compound - Phenol ether - Alkyl aryl ether - Monocyclic benzene moiety - Benzenoid - Thiazolidine - Carboxylic acid ester - C-nitro compound - Organic nitro compound - Ether - Monocarboxylic acid or derivatives - Azacycle - Organoheterocyclic compound - Organic oxoazanium - Secondary amine - Dialkylthioether - Thioether - Hemithioaminal - Organic 1,3-dipolar compound - Allyl-type 1,3-dipolar organic compound - Propargyl-type 1,3-dipolar organic compound - Organonitrogen compound - Organooxygen compound - Organic salt - Carbonyl group - Hydrocarbon derivative - Organic nitrogen compound - Organic oxygen compound - Amine - Organic oxide - Organic cation - Aromatic heteromonocyclic compound
• Descripción: This compound belongs to the class of organic compounds known as alpha amino acid esters. These are ester derivatives of alpha amino 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

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CYP3A4 Tclin Cytochrome P450 3A4 (53859 Activities)

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

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SMN1 Tchem Survival motor neuron protein (34246 Activities)

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MEN1 Tchem Menin/Histone-lysine N-methyltransferase MLL (48157 Activities)

Discover Target: MEN1

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Objetivos asociados (no humanos)

Hdac6 Histone deacetylase 6 (222 Activities)

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rep Replicase polyprotein 1ab (378 Activities)

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Mapt Microtubule-associated protein tau (6 Activities)

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Rorc Nuclear receptor ROR-gamma (89407 Activities)

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ffp 4'-phosphopantetheinyl transferase ffp (24982 Activities)

Discover Target: ffp

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Mecanismos de acción

Propiedades químicas y físicas

• Solubilidad: Solvent:DMSO, Max Conc. mg/mL: 40.22, Max Conc. mM: 100
• Sensibilidad: Moisture sensitive.
• Peso molecular: 402.500 g/mol
• XLogP3: 4.000
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 8
• Exact Mass: 402.125 Da
• Monoisotopic Mass: 402.125 Da
• Topological Polar Surface Area: 119.000 Ų
• Heavy Atom Count: 28
• Formal Charge: 0
• Complexity: 513.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 2
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 1

Preguntas frecuentes

What is the purity of this product?

This product is supplied at ≥98% purity (chemical assay). Lot-specific values are stated on the Certificate of Analysis.

How should this product be stored?

Store at ?20 °C. Freezer storage is required to maintain the specified shelf life.

How is this product shipped?

This product ships in an insulated container with ice pads. Unpack on arrival and transfer it to the storage condition stated above.

What are the CAS number, molecular formula and molecular weight?

The CAS Number is 415697-08-4, the molecular formula is C20H22N2O5S, and the molecular weight is 402.46 g/mol. InChIKey ZVYIJXLMBWCGHP-UHFFFAOYSA-N.

What documentation is provided?

Available product documentation, including Certificates of Analysis (COA), Safety Data Sheets (SDS), and specification sheets, is shown in the product document area. Document availability and access follow the current site policy.