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UPSEM792

CAT: 0804-HY-161246-01Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0804-HY-161246-01Size:5 mg
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Description
UPSEM792 is a pharmacologically selective effector molecules (PSEM) agonist for PSAM4-GlyR, with an affinity of Ki of 0.7 nM. uPSEM792 is a substrate for efflux transporters in brains of wild type and dual P-gp and BCRP knockout mice. uPSEM7952 is a possible lead for developing the PET radioligand for PSAM4-GlyR[1].
CAS Number
2323525-19-3
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/upsem792.html
Purity
99.92
Solubility
DMSO : ≥ 100 mg/mL
Smiles
CN1C2=C(C=C(C3CNCC4C3)C4=C2)N=CC1=O
Molecular Formula
C14H15N3O
Molecular Weight
241.29
References & Citations
[1]Nerella SG, et al., Synthesis and preclinical evaluation of [11C]uPSEM792 for PSAM4-GlyR based chemogenetics. Sci Rep. 2024 Jan 22;14 (1) :1886.
Shipping Conditions
Room Temperature
Storage Conditions
4°C (Powder, protect from light)
Scientific Category
Reference compound1
Clinical Information
No Development Reported

Chemical Information

uPSEM792
CAS Number2323525-19-3
PubChem CID138699011
IUPAC Name5-methyl-5,8,14-triazatetracyclo[10.3.1.02,11.04,9]hexadeca-2,4(9),7,10-tetraen-6-one
Molecular FormulaC14H15N3O
Molecular Weight241.29
XLogP0.5
Topological Polar Surface Area44.7
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count0
Heavy Atom Count18
Formal Charge0
Complexity408
SMILES
CN1C2=C(C=C3C4CC(C3=C2)CNC4)N=CC1=O
InChI
InChI=1S/C14H15N3O/c1-17-13-4-11-9-2-8(5-15-6-9)10(11)3-12(13)16-7-14(17)18/h3-4,7-9,15H,2,5-6H2,1H3
InChIKey
UEUFVUIOCKHRTA-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of uPSEM792
CAS: 2323525-19-3
CID: 138699011
Formula: C14H15N3O
MW: 241.29
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight241.29
XLogP30.5
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count0
Exact Mass241.121512110
Monoisotopic Mass241.121512110
Topological Polar Surface Area44.7 Ų
Heavy Atom Count18
Formal Charge0
Complexity408
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count2
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Alternative Products

CatalogName
T209079-01UPSEM792
GTR19261437-01UPSEM792 hydrochloride

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