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GSK1059865

CAT: 0804-HY-101534-01Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0804-HY-101534-01Size:5 mg
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Description
GSK1059865 is a potent orexin 1 receptor antagonist.
CAS Number
1191044-58-2
UNSPSC
12352005
Target
Orexin Receptor (OX Receptor)
Type
Reference compound
Related Pathways
GPCR/G Protein; Neuronal Signaling
Applications
Neuroscience-Neuromodulation
Field of Research
Neurological Disease; Endocrinology
Assay Protocol
https://www.medchemexpress.com/GSK1059865.html
Purity
99.68
Solubility
DMSO : 200 mg/mL (ultrasonic)
Smiles
O=C(N1[C@H](CNC2=NC=C(Br)C=C2)CC[C@H](C)C1)C3=CC=CC(F)=C3OC
Molecular Formula
C20H23BrFN3O2
Molecular Weight
436.32
References & Citations
[1]Lopez MF, et al. The highly selective orexin/hypocretin 1 receptor antagonist GSK1059865 potently reduces ethanol drinking in ethanol dependent mice. Brain Res. 2016 Apr 1;1636:74-80.|[2]Piccoli L, et al. Role of orexin-1 receptor mechanisms on compulsive food consumption in a model of binge eating in female rats. Neuropsychopharmacology. 2012 Aug;37 (9) :1999-2011.|[3]Gozzi A, et al. Differential effect of orexin-1 and CRF-1 antagonism on stress circuits: a fMRI study in the rat with the pharmacological stressor Yohimbine. Neuropsychopharmacology. 2013 Oct;38 (11) :2120-30.
Shipping Conditions
Room Temperature
Storage Conditions
-20°C, 3 years; 4°C, 2 years (Powder)
Scientific Category
Reference compound1
Clinical Information
No Development Reported
Isoform
OX1 Receptor

Chemical Information

Gsk-1059865
CAS Number1191044-58-2
PubChem CID44463491
IUPAC Name[(2S,5S)-2-[[(5-bromo-2-pyridinyl)amino]methyl]-5-methylpiperidin-1-yl]-(3-fluoro-2-methoxyphenyl)methanone
Molecular FormulaC20H23BrFN3O2
Molecular Weight436.3
XLogP4.4
Topological Polar Surface Area54.5
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count5
Rotatable Bond Count5
Heavy Atom Count27
Formal Charge0
Complexity498
SMILES
C[C@H]1CC[C@H](N(C1)C(=O)C2=C(C(=CC=C2)F)OC)CNC3=NC=C(C=C3)Br
InChI
InChI=1S/C20H23BrFN3O2/c1-13-6-8-15(11-24-18-9-7-14(21)10-23-18)25(12-13)20(26)16-4-3-5-17(22)19(16)27-2/h3-5,7,9-10,13,15H,6,8,11-12H2,1-2H3,(H,23,24)/t13-,15-/m0/s1
InChIKey
TWCRHJLMMAYSTE-ZFWWWQNUSA-N
Chemical Structure
2D Structure
2D structure of Gsk-1059865
CAS: 1191044-58-2
CID: 44463491
Formula: C20H23BrFN3O2
MW: 436.3
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight436.3
XLogP34.4
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count5
Rotatable Bond Count5
Exact Mass435.09577
Monoisotopic Mass435.09577
Topological Polar Surface Area54.5 Ų
Heavy Atom Count27
Formal Charge0
Complexity498
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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