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NADH-IN-1

CAT: 0804-HY-146036-01Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0804-HY-146036-01Size:5 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
NADH-IN-1 has NADH:ubiquinone oxidoreductase inhibitory activity with an IC50 value of 27 μM. NADH-IN-1 can effectively stimulate glucose uptake in vitro. NADH-IN-1 is readily metabolised by the liver. NADH-IN-1 can be used for researching diabetes[1].
CAS Number
1432445-15-2
UNSPSC
12352005
Target
Endogenous Metabolite
Type
Reference compound
Related Pathways
Metabolic Enzyme/Protease
Applications
Metabolism-sugar/lipid metabolism
Field of Research
Metabolic Disease
Assay Protocol
https://www.medchemexpress.com/nadh-in-1.html
Purity
99.38
Solubility
DMSO : 200 mg/mL (ultrasonic)
Smiles
O=C(N1CCN(C2=CC=C(C(F)(F)F)C=C2)CC1)CCCC3=CC=CS3
Molecular Formula
C19H21F3N2OS
Molecular Weight
382.44
References & Citations
[1]Devine R, et al. Design, synthesis, and biological evaluation of aryl piperazines with potential as antidiabetic agents via the stimulation of glucose uptake and inhibition of NADH:ubiquinone oxidoreductase. Eur J Med Chem. 2020;202:112416.
Shipping Conditions
Room Temperature
Storage Conditions
-20°C, 3 years; 4°C, 2 years (Powder)
Scientific Category
Reference compound1
Clinical Information
No Development Reported

Chemical Information

Nadh-IN-1
CAS Number1432445-15-2
PubChem CID71519596
IUPAC Name4-thiophen-2-yl-1-[4-[4-(trifluoromethyl)phenyl]piperazin-1-yl]butan-1-one
Molecular FormulaC19H21F3N2OS
Molecular Weight382.4
XLogP4.2
Topological Polar Surface Area51.8
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count6
Rotatable Bond Count5
Heavy Atom Count26
Formal Charge0
Complexity458
SMILES
C1CN(CCN1C2=CC=C(C=C2)C(F)(F)F)C(=O)CCCC3=CC=CS3
InChI
InChI=1S/C19H21F3N2OS/c20-19(21,22)15-6-8-16(9-7-15)23-10-12-24(13-11-23)18(25)5-1-3-17-4-2-14-26-17/h2,4,6-9,14H,1,3,5,10-13H2
InChIKey
KJARPKCKZJCRAS-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Nadh-IN-1
CAS: 1432445-15-2
CID: 71519596
Formula: C19H21F3N2OS
MW: 382.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight382.4
XLogP34.2
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count6
Rotatable Bond Count5
Exact Mass382.13266896
Monoisotopic Mass382.13266896
Topological Polar Surface Area51.8 Ų
Heavy Atom Count26
Formal Charge0
Complexity458
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

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