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SD-6

CAT: 0804-HY-149212-05Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0804-HY-149212-05Size:50 mg
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Description
SD-6 is an orally active inhibitor of hAChE and hBChE with IC50 values of 0.907 µM and 1.579 µM, respectively. SD-6 has excellent blood-brain barrier (BBB) permeability and no neurotoxicity, which can be used for research on Alzheimer's disease[1].
CAS Number
744206-31-3
UNSPSC
12352005
Target
Cholinesterase (ChE)
Type
Reference compound
Related Pathways
Neuronal Signaling
Applications
Neuroscience-Neurodegeneration
Field of Research
Neurological Disease
Assay Protocol
https://www.medchemexpress.com/sd-6.html
Concentration
10mM
Purity
98.0
Solubility
10 mM in DMSO
Smiles
S=C1OC(C2=CC=CC=C2)=NN1CN3CCN(CC3)CC4=CC=CC=C4
Molecular Formula
C20H22N4OS
Molecular Weight
366.48
References & Citations
[1]Waiker DK, et al. Development and Evaluation of Some Molecular Hybrids of N- (1-Benzylpiperidin-4-yl) -2- ((5-phenyl-1,3,4-oxadiazol-2-yl) thio) as Multifunctional Agents to Combat Alzheimer's Disease. ACS Omega. 2023 Mar 2;8 (10) :9394-9414.
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
AChE; BChE

Chemical Information

3-[(4-Benzylpiperazin-1-yl)methyl]-5-phenyl-1,3,4-oxadiazole-2-thione
CAS Number744206-31-3
PubChem CID2096125
IUPAC Name3-[(4-benzylpiperazin-1-yl)methyl]-5-phenyl-1,3,4-oxadiazole-2-thione
Molecular FormulaC20H22N4OS
Molecular Weight366.5
XLogP3.7
Topological Polar Surface Area63.4
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count5
Rotatable Bond Count5
Heavy Atom Count26
Formal Charge0
Complexity506
SMILES
C1CN(CCN1CC2=CC=CC=C2)CN3C(=S)OC(=N3)C4=CC=CC=C4
InChI
InChI=1S/C20H22N4OS/c26-20-24(21-19(25-20)18-9-5-2-6-10-18)16-23-13-11-22(12-14-23)15-17-7-3-1-4-8-17/h1-10H,11-16H2
InChIKey
ONVSVBRUYFMQPZ-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 3-[(4-Benzylpiperazin-1-yl)methyl]-5-phenyl-1,3,4-oxadiazole-2-thione
CAS: 744206-31-3
CID: 2096125
Formula: C20H22N4OS
MW: 366.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight366.5
XLogP33.7
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count5
Rotatable Bond Count5
Exact Mass366.15143251
Monoisotopic Mass366.15143251
Topological Polar Surface Area63.4 Ų
Heavy Atom Count26
Formal Charge0
Complexity506
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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