ChemicalBook--->CAS DataBase List--->897613-29-5

897613-29-5

897613-29-5 Structure

897613-29-5 Structure
IdentificationBack Directory
[Name]

N'-(3-acetamidophenyl)-N-[2-[4-methyl-2-(4-methylphenyl)-1,3-thiazol-5-yl]ethyl]oxamide
[CAS]

897613-29-5
[Synonyms]

S1QEL
S1QEL1.1
N1-(3-acetamidophenyl)-N2-(2-(4-methyl-2-(p-tolyl)thiazol-5-yl)ethyl)oxalamide
N'-(3-acetamidophenyl)-N-[2-[4-methyl-2-(4-methylphenyl)-1,3-thiazol-5-yl]ethyl]oxamide
[Molecular Formula]

C23H24N4O3S
[MDL Number]

MFCD07644661
[MOL File]

897613-29-5.mol
[Molecular Weight]

436.53
Chemical PropertiesBack Directory
[density ]

1.300±0.06 g/cm3(Predicted)
[storage temp. ]

Store at -20°C
[solubility ]

DMF: 3 mg/ml; DMF:PBS (pH 7.2) (1:2): 0.33 mg/ml; DMSO: 2 mg/ml
[form ]

A crystalline solid
[pka]

11.19±0.70(Predicted)
[color ]

white to beige
[InChI]

1S/C23H24N4O3S/c1-14-7-9-17(10-8-14)23-25-15(2)20(31-23)11-12-24-21(29)22(30)27-19-6-4-5-18(13-19)26-16(3)28/h4-10,13H,11-12H2,1-3H3,(H,24,29)(H,26,28)(H,27,30)
[InChIKey]

BFNBJUBXXJKBFN-UHFFFAOYSA-N
[SMILES]

CC1=C(CCNC(C(NC2=CC=CC(NC(C)=O)=C2)=O)=O)SC(C3=CC=C(C)C=C3)=N1
Safety DataBack Directory
[WGK Germany ]

WGK 3
[Storage Class]

11 - Combustible Solids
Hazard InformationBack Directory
[Description]

S1QEL1.1 is a small molecule that suppresses superoxide production during reverse electron transport through the IQ site of the mitochondrial respiratory complex I (IC50 = 70 nM) without affecting oxidative phosphorylation. It diminishes endogenous oxidative damage in primary astrocytes, reduces stress-induced signaling in a cardiomyocyte cell model, and protects against ischemia-reperfusion injury in perfused mouse heart.
[Uses]

S1QEL1.1 is a small molecule inhibitor that specifically inhibits the generation of superoxide and hydrogen peroxide at the IQ site during reverse electron transfer in mitochondrial respiratory chain complex I (Complex I), with an IC50 of 0.07 μM. S1QEL1.1 can significantly reduce the activation of cysteine-aspartic protease (caspase) triggered by endoplasmic reticulum stress. S1QEL1.1 helps to decrease excessive proliferation of stem cells by inhibiting the Reactive Oxygen Species signaling pathway initiated by endoplasmic reticulum stress[1].
[References]

[1] Martin D Brand, et al. Suppressors of Superoxide-H2O2 Production at Site IQ of Mitochondrial Complex I Protect against Stem Cell Hyperplasia and Ischemia-Reperfusion Injury. Cell Metab. 2016 Oct 11;24(4):582-592. DOI:10.1016/j.cmet.2016.08.012
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