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(S) -Padsevonil

CAT: 0013-GTR19267248-02Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19267248-02Size:50 mg
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Description
(S) -Padsevonil is the S-enantiomer of Padsevonil. Padsevonil (UCB0942) is a potent antiepileptic agent that selectively targets both presynaptic and postsynaptic sites. It binds with high affinity to synaptic vesicle protein 2 (SV2) and acts as a positive allosteric modulator and partial agonist of GABAAR, showing greater efficacy on receptors containing α1 and α5 subunits. Padsevonil demonstrates antiepileptic effects in various rodent models.
CAS Number
1294001-37-8
Field of Research
Neuroscience, Pharmacology & Drug Discovery
Smiles
C (C=1N2C (=NC1C (F) (F) F) SC (COC) =N2) N3C[C@H] (CC (Cl) (F) F) CC3=O
Molecular Formula
C14H14ClF5N4O2S
Molecular Weight
432.80
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

(S)-Padsevonil
CAS Number1294001-37-8
PubChem CID52911557
IUPAC Name(4S)-4-(2-chloro-2,2-difluoroethyl)-1-[[2-(methoxymethyl)-6-(trifluoromethyl)imidazo[2,1-b][1,3,4]thiadiazol-5-yl]methyl]pyrrolidin-2-one
Molecular FormulaC14H14ClF5N4O2S
Molecular Weight432.8
XLogP2.5
Topological Polar Surface Area88
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count10
Rotatable Bond Count6
Heavy Atom Count27
Formal Charge0
Complexity572
SMILES
COCC1=NN2C(=C(N=C2S1)C(F)(F)F)CN3C[C@@H](CC3=O)CC(F)(F)Cl
InChI
InChI=1S/C14H14ClF5N4O2S/c1-26-6-9-22-24-8(11(14(18,19)20)21-12(24)27-9)5-23-4-7(2-10(23)25)3-13(15,16)17/h7H,2-6H2,1H3/t7-/m0/s1
InChIKey
DCXFIOLWWRXEQH-ZETCQYMHSA-N
Chemical Structure
2D Structure
2D structure of (S)-Padsevonil
CAS: 1294001-37-8
CID: 52911557
Formula: C14H14ClF5N4O2S
MW: 432.8
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight432.8
XLogP32.5
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count10
Rotatable Bond Count6
Exact Mass432.0446154
Monoisotopic Mass432.0446154
Topological Polar Surface Area88 Ų
Heavy Atom Count27
Formal Charge0
Complexity572
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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