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BHQ-O-5HT

CAT: 0804-HY-124086Size: 1 EachDry Ice: NoHazardous: No
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CAT#:0804-HY-124086Size:1 Each
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Description
BHQ-O-5HT is a light-activated caged 5-HT protected by a BHQ group. When exposed to light at 365 or 740 nm, BHQ-O-5HT releases 5-HT through 1 or 2 photon excitation, respectively. BHQ-O-5HT can be manipulated in space and time to explore the role of 5-HT in regulating mood, appetite, memory, learning, and other cognitive functions[1].
CAS Number
1417436-52-2
UNSPSC
12352005
Target
5-HT Receptor
Type
Reference compound
Related Pathways
GPCR/G Protein; Neuronal Signaling
Applications
Neuroscience-Neuromodulation
Field of Research
Neurological Disease
Assay Protocol
https://www.medchemexpress.com/bhq-o-5ht.html
Smiles
OC1=CC=C2C=CC(COC3=CC4=C(NC=C4CCN)C=C3)=NC2=C1Br
Molecular Formula
C20H18BrN3O2
Molecular Weight
412.28
References & Citations
[1]Rea AC, et al. Light-activated serotonin for exploring its action in biological systems. Chem Biol. 2013 Dec 19;20 (12) :1536-46.
Shipping Conditions
Room temperature
Scientific Category
Reference compound1
Clinical Information
No Development Reported

Chemical Information

Bhq-O-5HT
CAS Number1417436-52-2
PubChem CID136264028
IUPAC Name2-[[3-(2-aminoethyl)-1H-indol-5-yl]oxymethyl]-8-bromoquinolin-7-ol
Molecular FormulaC20H18BrN3O2
Molecular Weight412.3
XLogP3.5
Topological Polar Surface Area84.2
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count4
Rotatable Bond Count5
Heavy Atom Count26
Formal Charge0
Complexity468
SMILES
C1=CC(=NC2=C1C=CC(=C2Br)O)COC3=CC4=C(C=C3)NC=C4CCN
InChI
InChI=1S/C20H18BrN3O2/c21-19-18(25)6-2-12-1-3-14(24-20(12)19)11-26-15-4-5-17-16(9-15)13(7-8-22)10-23-17/h1-6,9-10,23,25H,7-8,11,22H2
InChIKey
CCXVAJCOBSSSOW-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Bhq-O-5HT
CAS: 1417436-52-2
CID: 136264028
Formula: C20H18BrN3O2
MW: 412.3
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight412.3
XLogP33.5
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count4
Rotatable Bond Count5
Exact Mass411.05824
Monoisotopic Mass411.05824
Topological Polar Surface Area84.2 Ų
Heavy Atom Count26
Formal Charge0
Complexity468
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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