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Melatonin-d4

CAT: 0931-T11995-02Size: 1 mgDry Ice: NoHazardous: No
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CAT#:0931-T11995-02Size:1 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
66521-38-8
Target
Apoptosis, Melatonin Receptor, Autophagy, Mitophagy
Related Pathways
Apoptosis, Autophagy, GPCR/G Protein
Bioactivity
Melatonin D5, a deuterium-labeled version of melatonin, is a hormone produced by the pineal gland, known for its role as a selective ATF-6 inhibitor that promotes apoptosis in human hepatoma cells via COX-2 downregulation. Additionally, it activates melatonin receptors and exhibits antioxidative and anti-inflammatory properties.
Smiles
[2H]C([2H])(NC(C)=O)C([2H])([2H])c1c[nH]c2ccc(OC)cc12
Molecular Formula
C13H16N2O2
Molecular Weight
236.3
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

N-(2-(5-Methoxy-1H-indol-3-yl)(~2~H_4_)ethyl)acetamide
CAS Number66521-38-8
PubChem CID12358981
IUPAC NameN-[1,1,2,2-tetradeuterio-2-(5-methoxy-1H-indol-3-yl)ethyl]acetamide
Molecular FormulaC13H16N2O2
Molecular Weight236.30
XLogP0.8
Topological Polar Surface Area54.1
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count2
Rotatable Bond Count4
Heavy Atom Count17
Formal Charge0
Complexity270
SMILES
[2H]C([2H])(C1=CNC2=C1C=C(C=C2)OC)C([2H])([2H])NC(=O)C
InChI
InChI=1S/C13H16N2O2/c1-9(16)14-6-5-10-8-15-13-4-3-11(17-2)7-12(10)13/h3-4,7-8,15H,5-6H2,1-2H3,(H,14,16)/i5D2,6D2
InChIKey
DRLFMBDRBRZALE-NZLXMSDQSA-N
Chemical Structure
2D Structure
2D structure of N-(2-(5-Methoxy-1H-indol-3-yl)(~2~H_4_)ethyl)acetamide
CAS: 66521-38-8
CID: 12358981
Formula: C13H16N2O2
MW: 236.30
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight236.30
XLogP30.8
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count2
Rotatable Bond Count4
Exact Mass236.146284741
Monoisotopic Mass236.146284741
Topological Polar Surface Area54.1 Ų
Heavy Atom Count17
Formal Charge0
Complexity270
Isotope Atom Count4
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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Alternative Products

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CS-O-10851Melatonin-d4
AR-M04152-01N1-Nitroso Melatonin-d4
AR-M01283-016-Sulfatoxy Melatonin-d4
HY-132425S6-Hydroxy Melatonin-d4
CS-O-48488N-Nitroso Melatonin D4
HY-142117S6-Sulfatoxy Melatonin-d4 (sodium)
TRC-H944627-1MG6-Hydroxy Melatonin-d4 (Major)
AR-M04146-01Melatonin USP Related Compound A-d4
sc-4744406-Sulfatoxy Melatonin-d4 Sodium
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