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2-Iodomelatonin

CAT: 0013-GTR19206677-04Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19206677-04Size:25 mg
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Description
2-Iodomelatonin is a high-affinity, MT1-selective melatonin receptor agonist (Ki = 28 pM; 5-fold MT1/MT2 selectivity) . It is extensively used as a radioligand in both in vitro and in vivo studies to map and characterize melatonin binding sites within central and peripheral nervous systems.
CAS Number
93515-00-5
Product Name Alternative
2 Iodomelatonin, 2Iodomelatonin, 2-Iodomelatonin, Melatonin Receptor, MelatoninReceptor
Field of Research
Pharmacology & Drug Discovery
Purity
99.70% (May vary between batches)
Solubility
DMSO:55 mg/mL (153.56 mM) ;10% DMSO+40% PEG300+5% Tween 80+45% Saline:2 mg/mL (5.58 mM)
Smiles
COc1ccc2[nH]c (I) c (CCNC (C) =O) c2c1
Molecular Formula
C13H15IN2O2
Molecular Weight
358.17
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

2-Iodomelatonin

N-[2-(2-iodo-5-methoxy-1H-indol-3-yl)ethyl]acetamide is a member of acetamides.

CAS Number93515-00-5
PubChem CID115348
IUPAC NameN-[2-(2-iodo-5-methoxy-1H-indol-3-yl)ethyl]acetamide
Molecular FormulaC13H15IN2O2
Molecular Weight358.17
XLogP2.3
Topological Polar Surface Area54.1
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count2
Rotatable Bond Count4
Heavy Atom Count18
Formal Charge0
Complexity301
SMILES
CC(=O)NCCC1=C(NC2=C1C=C(C=C2)OC)I
InChI
InChI=1S/C13H15IN2O2/c1-8(17)15-6-5-10-11-7-9(18-2)3-4-12(11)16-13(10)14/h3-4,7,16H,5-6H2,1-2H3,(H,15,17)
InChIKey
FJDDSMSDZHURBJ-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 2-Iodomelatonin
CAS: 93515-00-5
CID: 115348
Formula: C13H15IN2O2
MW: 358.17
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight358.17
XLogP32.3
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count2
Rotatable Bond Count4
Exact Mass358.01783
Monoisotopic Mass358.01783
Topological Polar Surface Area54.1 Ų
Heavy Atom Count18
Formal Charge0
Complexity301
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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