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UCB-J

CAT: 0804-HY-136873-01Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0804-HY-136873-01Size:5 mg
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Description
UCB-J is a ligand for the synaptic vesicle protein 2A (SV2A) with a pIC50 of 8.2. UCB-J can be used as a PET tracer for SV2A to assist in the diagnosis of epilepsy research[1][2][3][4].
CAS Number
2242957-52-2
UNSPSC
12352005
Target
Synaptic Vesicle Proteins
Type
Reference compound
Related Pathways
Membrane Transporter/Ion Channel
Field of Research
Neurological Disease
Assay Protocol
https://www.medchemexpress.com/ucb-j.html
Purity
99.62
Solubility
DMSO : 100 mg/mL (ultrasonic)
Smiles
O=C1C[C@@](C2=CC(F)=C(C(F)=C2)F)([H])CN1CC3=CC=NC=C3C
Molecular Formula
C17H15F3N2O
Molecular Weight
320.31
References & Citations
[1]Joël Mercier, et al. Discovery of heterocyclic nonacetamide synaptic vesicle protein 2A (SV2A) ligands with single-digit nanomolar potency: opening avenues towards the first SV2A positron emission tomography (PET) ligands. ChemMedChem. 2014 Apr;9 (4) :693-8.|[2]Aline Delva, et al. Loss of Presynaptic Terminal Integrity in the Substantia Nigra in Early Parkinson's Disease. Mov Disord. 2020 Aug 7.|[3]Nabeel B Nabulsi, et al. Synthesis and Preclinical Evaluation of 11C-UCB-J as a PET Tracer for Imaging the Synaptic Vesicle Glycoprotein 2A in the Brain. J Nucl Med. 2016 May;57 (5) :777-84.|[4]Zhengxin Cai, et al. Synthesis and Preclinical Evaluation of an 18 F-Labeled Synaptic Vesicle Glycoprotein 2A PET Imaging Probe: [ 18 F]SynVesT-2. ACS Chem Neurosci. 2020 Feb 19;11 (4) :592-603.
Shipping Conditions
Room Temperature
Storage Conditions
4°C (Powder, sealed storage, away from moisture and light)
Scientific Category
Reference compound1
Clinical Information
Phase 2

Chemical Information

(4R)-1-[(3-methyl-4-pyridinyl)methyl]-4-(3,4,5-trifluorophenyl)pyrrolidin-2-one
CAS Number2242957-52-2
PubChem CID139953895
IUPAC Name(4R)-1-[(3-methyl-4-pyridinyl)methyl]-4-(3,4,5-trifluorophenyl)pyrrolidin-2-one
Molecular FormulaC17H15F3N2O
Molecular Weight320.31
XLogP2.3
Topological Polar Surface Area33.2
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count5
Rotatable Bond Count3
Heavy Atom Count23
Formal Charge0
Complexity424
SMILES
CC1=C(C=CN=C1)CN2C[C@H](CC2=O)C3=CC(=C(C(=C3)F)F)F
InChI
InChI=1S/C17H15F3N2O/c1-10-7-21-3-2-11(10)8-22-9-13(6-16(22)23)12-4-14(18)17(20)15(19)5-12/h2-5,7,13H,6,8-9H2,1H3/t13-/m0/s1
InChIKey
RFSDYRVOGWHOFT-ZDUSSCGKSA-N
Chemical Structure
2D Structure
2D structure of (4R)-1-[(3-methyl-4-pyridinyl)methyl]-4-(3,4,5-trifluorophenyl)pyrrolidin-2-one
CAS: 2242957-52-2
CID: 139953895
Formula: C17H15F3N2O
MW: 320.31
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight320.31
XLogP32.3
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count5
Rotatable Bond Count3
Exact Mass320.11364759
Monoisotopic Mass320.11364759
Topological Polar Surface Area33.2 Ų
Heavy Atom Count23
Formal Charge0
Complexity424
Isotope Atom Count0
Defined Atom Stereocenter Count1
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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