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SN6 - 98%, high purity , CAS No.415697-08-4
Selective Na+/Ca2+exchange inhibitor (reverse mode)
Basic Description
Synonyms
BCP32885 | Ethyl 2-(4-((4-nitrobenzyl)oxy)benzyl)thiazolidine-4-carboxylate | N16889 | BRD-A14316475-001-01-5 | HMS3677K09 | SN-6 | HY-107658 | CS-0029062 | DTXSID70436978 | HMS3413K09 | HMS3268P11 | SN 6; SN6 | SN-6, >=98% (HPLC) | AKOS024456975 | NCGC00
Specifications & Purity
≥98%
Biochemical and Physiological Mechanisms
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
Storage Temp
Store at -20°C
Shipped In
Ice chest + Ice pads
This product requires cold chain shipping. Ground and other economy services are not available.
Product Description
SN-6 has been used as a selective Na+/Ca++ exchanger (NCX) inhibitor to study its neuroprotective effects on axonal injury in mice.
Taxonomic Classification
Kingdom
Organic compounds
Superclass
Organic acids and derivatives
Class
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.
Associated Targets(Human)
Associated Targets(non-human)
Mechanisms of Action
Mechanism of Action
Action Type
target ID
Target Name
Target Type
Target Organism
Binding Site Name
References
Names and Identifiers
Pubchem Sid
504765339
Pubchem Sid Url
https://pubchem.ncbi.nlm.nih.gov/substance/504765339
IUPAC Name
ethyl 2-[[4-[(4-nitrophenyl)methoxy]phenyl]methyl]-1,3-thiazolidine-4-carboxylate
INCHI
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
InChIKey
ZVYIJXLMBWCGHP-UHFFFAOYSA-N
Smiles
CCOC(=O)C1CSC(N1)CC2=CC=C(C=C2)OCC3=CC=C(C=C3)[N+](=O)[O-]
Isomeric SMILES
CCOC(=O)C1CSC(N1)CC2=CC=C(C=C2)OCC3=CC=C(C=C3)[N+](=O)[O-]
PubChem CID
10222761
Molecular Weight
402.46
Certificates(CoA,COO,BSE/TSE and Analysis Chart)
Chemical and Physical Properties
Solubility
Solvent:DMSO, Max Conc. mg/mL: 40.22, Max Conc. mM: 100
Sensitivity
Moisture sensitive.
Molecular Weight
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
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