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NL-1

CAT: 1568-C07306-02Size: 50 mgDry Ice: NoHazardous: No
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CAT#:1568-C07306-02Size:50 mg
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CAS Number
188532-26-5
SKU
C07306-50mg
Target
Mitochondrial Metabolism
Applications
Metabolism
Smiles
CC (C) (C) C1=CC (=CC (=C1O) C (C) (C) C) CC2C (=O) NC (=O) S2
Molecular Formula
C18H25NO3S
Additionnal Information
The mitochondrial mitoNEET ligand NL-1 is a mitoNEET inhibitor, which induces a concentration-dependent decrease in cell viability with an IC50 of 47.35 μM and 56.26 μM in REH and REH/Ara-C cells respectively. The docking studies using liver mitochondrial suspensions show the IC50 of NL-1 binding for [3H]-rosiglitazone is 0.9 μM and the Ki for NL-1 site 1 and site 2 was 4.78 and 2.77, respectively.
Storage Conditions
3 years -20°C powder

Chemical Information

5-(3,5-di-tert-butyl-4-hydroxybenzyl)-4-hydroxythiazol-2(5H)-one

5-[(3,5-ditert-butyl-4-hydroxyphenyl)methyl]-1,3-thiazolidine-2,4-dione is an organic molecular entity. It has a role as an inhibitor.

CAS Number188532-26-5
PubChem CID9819104
IUPAC Name5-[(3,5-ditert-butyl-4-hydroxyphenyl)methyl]-1,3-thiazolidine-2,4-dione
Molecular FormulaC18H25NO3S
Molecular Weight335.5
XLogP5
Topological Polar Surface Area91.7
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count4
Heavy Atom Count23
Formal Charge0
Complexity454
SMILES
CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)CC2C(=O)NC(=O)S2
InChI
InChI=1S/C18H25NO3S/c1-17(2,3)11-7-10(8-12(14(11)20)18(4,5)6)9-13-15(21)19-16(22)23-13/h7-8,13,20H,9H2,1-6H3,(H,19,21,22)
InChIKey
QDYYSPGKYXWGSL-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 5-(3,5-di-tert-butyl-4-hydroxybenzyl)-4-hydroxythiazol-2(5H)-one
CAS: 188532-26-5
CID: 9819104
Formula: C18H25NO3S
MW: 335.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight335.5
XLogP35
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count4
Exact Mass335.15551483
Monoisotopic Mass335.15551483
Topological Polar Surface Area91.7 Ų
Heavy Atom Count23
Formal Charge0
Complexity454
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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