SN6 - ≥98% , CAS No.415697-08-4

CAS: 415697-08-4 Cat. No.: S303682 Formule: C₂₀H₂₂N₂O₅S Poids moléculaire: 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

Vue d’ensemble

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

Specifications

Synonymes

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

Spécifications et pureté

≥98%

Mécanismes biochimiques et physiologiques

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

Conditions de stockage de stockage

Store at -20°C

Expédié en

Ice chest + Ice pads

Ce produit nécessite l'expédition en chaîne froide. Les services terrestres et autres services économiques ne sont pas disponibles.

Pureté

≥98%

Noms et identifiants

• Pubchem Sid: 504765339
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504765339
• Sourires canoniques: 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
• Isomères SMILES: CCOC(=O)C1CSC(N1)CC2=CC=C(C=C2)OCC3=CC=C(C=C3)[N+](=O)[O-]
• PubChem CID: 10222761
• Poids moléculaire: 402.46

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic acids and derivatives
    • Classe 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
• Classe: 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
• Description: 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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Mécanismes d'action

Propriétés chimiques et physiques

• Solubilité: Solvent:DMSO, Max Conc. mg/mL: 40.22, Max Conc. mM: 100
• Sensibilité: Moisture sensitive.
• Poids moléculaire: 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

Foire aux questions

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.