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Tasimelteon (Standard)

CAT: 0804-HY-14803R-01Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0804-HY-14803R-01Size:5 mg
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Description
Tasimelteon (Standard) is the analytical standard of Tasimelteon. This product is intended for research and analytical applications. Tasimelteon (BMS-214778) is an orally active and selective dual melatonin receptor agonist (DMRA) . Tasimelteon has 2.1-4.4 times greater affinity for the MT2 receptor than for the MT1 receptor. Tasimelteon is a circadian regulator and has the potential for Non-24-Hour Sleep-Wake Disorder (Non-24) [1][2].
CAS Number
609799-22-6
Product Name Alternative
BMS-214778 (Standard) ; VEC-162 (Standard)
UNSPSC
12352005
Target
Melatonin Receptor; Reference Standards
Type
Reference Standards
Related Pathways
GPCR/G Protein; Neuronal Signaling; Others
Field of Research
Neurological Disease; Endocrinology
Assay Protocol
https://www.medchemexpress.com/tasimelteon-standard.html
Smiles
[H][C@]1(C2=C3C(OCC3)=CC=C2)[C@@](CNC(CC)=O)([H])C1
Molecular Formula
C15H19NO2
Molecular Weight
245.32
References & Citations
[1]Christian Lavedan, et al. Tasimelteon: a selective and unique receptor binding profile. Neuropharmacology. 2015 Apr;91:142-7.|[2]Keating GM, et al. Tasimelteon: A Review in Non-24-Hour Sleep-Wake Disorder in Totally Blind Individuals. CNS Drugs. 2016 Mar 22.
Shipping Conditions
Room temperature
Scientific Category
Reference Standards

Chemical Information

Tasimelteon

Tasimelteon is a member of the class of 1-benzofurans that is propionamide in which one of the amide hydrogens is replaced by a [(1R,2R)-2-(2,3-dihydro-1-benzofuran-4-yl)cyclopropyl]methyl group. A melatonin receptor agonist used for the treatment of non-24-hour sleep-wake disorder. It has a role as a melatonin receptor agonist. It is a monocarboxylic acid amide, a member of 1-benzofurans and a member of cyclopropanes. It is functionally related to a propionamide.

CAS Number609799-22-6
PubChem CID10220503
IUPAC NameN-[[(1R,2R)-2-(2,3-dihydro-1-benzofuran-4-yl)cyclopropyl]methyl]propanamide
Molecular FormulaC15H19NO2
Molecular Weight245.32
XLogP2.2
Topological Polar Surface Area38.3
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count4
Heavy Atom Count18
Formal Charge0
Complexity318
SMILES
CCC(=O)NC[C@@H]1C[C@H]1C2=C3CCOC3=CC=C2
InChI
InChI=1S/C15H19NO2/c1-2-15(17)16-9-10-8-13(10)11-4-3-5-14-12(11)6-7-18-14/h3-5,10,13H,2,6-9H2,1H3,(H,16,17)/t10-,13+/m0/s1
InChIKey
PTOIAAWZLUQTIO-GXFFZTMASA-N
Chemical Structure
2D Structure
2D structure of Tasimelteon
CAS: 609799-22-6
CID: 10220503
Formula: C15H19NO2
MW: 245.32
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight245.32
XLogP32.2
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count4
Exact Mass245.141578849
Monoisotopic Mass245.141578849
Topological Polar Surface Area38.3 Ų
Heavy Atom Count18
Formal Charge0
Complexity318
Isotope Atom Count0
Defined Atom Stereocenter Count2
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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