ChemicalBook--->CAS DataBase List--->1802013-08-6

1802013-08-6

1802013-08-6 Structure

1802013-08-6 Structure
IdentificationBack Directory
[Name]

ITH 12575
[CAS]

1802013-08-6
[Synonyms]

ITH 12575
ITH12575 >=98% (HPLC)
7-Chloro-1,5-dihydro-5-[2-(1-methylethyl)phenyl]-4,1-benzothiazepin-2(3H)-one
[Molecular Formula]

C18H18ClNOS
[MDL Number]

MFCD30720887
[MOL File]

1802013-08-6.mol
[Molecular Weight]

331.86
Chemical PropertiesBack Directory
[Boiling point ]

484.5±45.0 °C(Predicted)
[density ]

1.219±0.06 g/cm3(Predicted)
[storage temp. ]

Store at -20°C
[solubility ]

Soluble in DMSO
[form ]

Solid
[pka]

12.34±0.40(Predicted)
[color ]

White to off-white
[InChI]

1S/C18H18ClNOS/c1-11(2)13-5-3-4-6-14(13)18-15-9-12(19)7-8-16(15)20-17(21)10-22-18/h3-9,11,18H,10H2,1-2H3,(H,20,21)
[InChIKey]

RDMUJSJZBYAAEF-UHFFFAOYSA-N
[SMILES]

CC(C)C1=C(C2C(C=C(Cl)C=C3)=C3NC(CS2)=O)C=CC=C1
Safety DataBack Directory
[WGK Germany ]

WGK 3
[Storage Class]

11 - Combustible Solids
Hazard InformationBack Directory
[Uses]

7-?Chloro-?1,?5-?dihydro-?5-?[2-?(1-?methylethyl)?phenyl]?-4,?1-benzothiazepin-?2(3H)?-?one can be used to study the physiological roles of the mitochondrial sodium /calcium exchanger related to neurodegeneration.
[Biological Activity]

ITH12575 is apotent and selective inhibitor of mitochondrial Na+/Ca2+ exchanger mNCX with neuroprotective activity. It was shown to reduce Ca2+ efflux from the mitochondria to the cytosol with an EC50 value of 690 nM and was shown to protect against Ca2+ overload and mitigated the neuronal damage in a model of oxidative stress. at higher concentrations ITH12575 also reduced Ca2+ influx through CALHM1a Ca2+ channel th at plays a key role in the neuronal electrical activity.
[storage]

Store at RT
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