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S1QEL1.1

CAT: 0804-HY-129115-01Size: 1 mgDry Ice: NoHazardous: No
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CAT#:0804-HY-129115-01Size:1 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
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].
CAS Number
897613-29-5
UNSPSC
12352005
Hazard Statement
H302, H372, H411
Target
Caspase; Reactive Oxygen Species (ROS)
Type
Reference compound
Related Pathways
Apoptosis; Immunology/Inflammation; Metabolic Enzyme/Protease; NF-κB
Applications
Metabolism-sugar/lipid metabolism
Field of Research
Others
Assay Protocol
https://www.medchemexpress.com/s1qel1-1.html
Purity
99.9
Smiles
O=C(NC1=CC=CC(NC(C)=O)=C1)C(NCCC2=C(C)N=C(C3=CC=C(C)C=C3)S2)=O
Molecular Formula
C23H24N4O3S
Molecular Weight
436.53
Precautions
H302, H372, H411
References & Citations
[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.
Shipping Conditions
Blue Ice
Storage Conditions
-20°C, 3 years (Powder)
Scientific Category
Reference compound1
Clinical Information
No Development Reported

Chemical Information

N1-(3-acetamidophenyl)-N2-(2-(4-methyl-2-(p-tolyl)thiazol-5-yl)ethyl)oxalamide

S1QEL1.1 is an organic molecular entity.

CAS Number897613-29-5
PubChem CID18563026
IUPAC NameN'-(3-acetamidophenyl)-N-[2-[4-methyl-2-(4-methylphenyl)-1,3-thiazol-5-yl]ethyl]oxamide
Molecular FormulaC23H24N4O3S
Molecular Weight436.5
XLogP3.4
Topological Polar Surface Area128
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count5
Rotatable Bond Count6
Heavy Atom Count31
Formal Charge0
Complexity638
SMILES
CC1=CC=C(C=C1)C2=NC(=C(S2)CCNC(=O)C(=O)NC3=CC=CC(=C3)NC(=O)C)C
InChI
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
Chemical Structure
2D Structure
2D structure of N1-(3-acetamidophenyl)-N2-(2-(4-methyl-2-(p-tolyl)thiazol-5-yl)ethyl)oxalamide
CAS: 897613-29-5
CID: 18563026
Formula: C23H24N4O3S
MW: 436.5
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight436.5
XLogP33.4
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count5
Rotatable Bond Count6
Exact Mass436.15691181
Monoisotopic Mass436.15691181
Topological Polar Surface Area128 Ų
Heavy Atom Count31
Formal Charge0
Complexity638
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes