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415697-08-4

415697-08-4 Structure

415697-08-4 Structure
IdentificationBack Directory
[Name]

2-[[4-[(4-NITROPHENYL)METHOXY]PHENYL]METHYL]-4-THIAZOLIDINECARBOXYLIC ACID ETHYL ESTER
[CAS]

415697-08-4
[Synonyms]

SN-6
SN-6;SN6;SN 6
2-[[4-[(4-NITROPHENYL)METHOXY]PHENYL]METHYL]-4-THIAZOLIDINECARBOXYLIC ACID ETHYL ESTER
4-Thiazolidinecarboxylic acid, 2-[[4-[(4-nitrophenyl)methoxy]phenyl]methyl]-, ethyl ester
[Molecular Formula]

C20H22N2O5S
[MDL Number]

MFCD06798326
[MOL File]

415697-08-4.mol
[Molecular Weight]

402.46
Chemical PropertiesBack Directory
[Boiling point ]

581.2±50.0 °C(Predicted)
[density ]

1.285±0.06 g/cm3(Predicted)
[storage temp. ]

Keep in dark place,Sealed in dry,2-8°C
[solubility ]

DMSO : 62.5 mg/mL (155.29 mM; Need ultrasonic)H2O : < 0.1 mg/mL (insoluble)
[form ]

Powder
[pka]

6.63±0.60(Predicted)
[color ]

White to light yellow
[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]

O=C(OCC)C1CSC(CC2=CC=C(OCC3=CC=C([N+]([O-])=O)C=C3)C=C2)N1
Safety DataBack Directory
[Symbol(GHS) ]

Exclamation Mark (GHS07)
GHS07
[Signal word ]

Warning
[Hazard statements ]

H302-H315-H319-H335
[Precautionary statements ]

P261-P305+P351+P338
[WGK Germany ]

WGK 3
[Storage Class]

11 - Combustible Solids
Hazard InformationBack Directory
[Uses]

SN 6 is an inhibitor of Na+/Ca+ exchanger (NCX). NCX inhibitors can ameliorate cardiac ischemia-reperfusion injury and promote high-frequency fatigue of skeletal muscle. Inhibitor of bafilomycin A1-in duced expression of cyclooxygenase (COX-2).
[Biological Activity]

Selective Na + /Ca 2+ -exchange (NCX) inhibitor; displays some selectivity for NCX1. IC 50 values are 2.9, 16 and 8.6 μ M for inhibition of intracellular Na+-dependent 45 Ca 2+ uptake by cells expressing NCX1, NCX2 and NCX3 respectively. Has some affinity for mACh receptors (IC 50 = 18 μ M) but minimal activity against NCKX2 and various receptors and ion channels (IC 50 > 30 μ M). Preferentially blocks Ca 2+ influx mode and is more selective for NCX isoforms than KB-R7943 (2-[2-[4-(4-Nitrobenzyloxy)phenyl]ethyl]isothioureamesylate ). Anti-ischemic; potently protects against hypoxia-induced renal tubular cell damage (IC 50 = 0.63 μ M).
[storage]

Desiccate at +4°C
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