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Stacofylline

CAT: 0804-HY-106412-02Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0804-HY-106412-02Size:5 mg
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Description
Stacofylline (S 9977 free base; S 9977-2 free base), a Xanthine derivative, is a potent AChE inhibitor with an IC50 of 5-50 nM. Stacofylline shows anti-amnesic and promnesic activities[1][2].
CAS Number
98833-92-2
Product Name Alternative
S 9977 (free base) ; S 9977-2 (free base)
UNSPSC
12352005
Target
Cholinesterase (ChE) ; Drug Derivative
Type
Reference compound
Related Pathways
Neuronal Signaling; Others
Applications
Neuroscience-Neuromodulation
Field of Research
Neurological Disease
Assay Protocol
https://www.medchemexpress.com/stacofylline.html
Solubility
10 mM in DMSO
Smiles
CN1C2=C(N(C(N(C)C2=O)=O)C)N=C1CCCN3CCN(C(N(CC)CC)=O)CC3
Molecular Formula
C20H33N7O3
Molecular Weight
419.52
References & Citations
[1]Roger D. Porsolt, et al. Potential cognition-enhancing properties of S 9977 in three moenls of amnesia in the mouse. Drug Development Research. 1992.|[2]L E Trudeau, et al. Xanthine derivatives IBMX and S-9977-2 potentiate transmission at an Aplysia central cholinergic synapse. Brain Res. 1992 Jul 17;586 (1) :78-85.
Shipping Conditions
Room temperature
Scientific Category
Reference compound1
Clinical Information
No Development Reported
Isoform
AChE

Chemical Information

Stacofylline

Stacofylline is a small molecule drug. The usage of the INN stem '-fylline' in the name indicates that Stacofylline is a N-methylated xanthine derivative. Stacofylline has a monoisotopic molecular weight of 419.26 Da.

CAS Number98833-92-2
PubChem CID132157
IUPAC NameN,N-diethyl-4-[3-(1,3,7-trimethyl-2,6-dioxopurin-8-yl)propyl]piperazine-1-carboxamide
Molecular FormulaC20H33N7O3
Molecular Weight419.5
XLogP0.3
Topological Polar Surface Area85.2
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count5
Rotatable Bond Count6
Heavy Atom Count30
Formal Charge0
Complexity648
SMILES
CCN(CC)C(=O)N1CCN(CC1)CCCC2=NC3=C(N2C)C(=O)N(C(=O)N3C)C
InChI
InChI=1S/C20H33N7O3/c1-6-26(7-2)20(30)27-13-11-25(12-14-27)10-8-9-15-21-17-16(22(15)3)18(28)24(5)19(29)23(17)4/h6-14H2,1-5H3
InChIKey
PKXWXHGLEXOSQK-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Stacofylline
CAS: 98833-92-2
CID: 132157
Formula: C20H33N7O3
MW: 419.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight419.5
XLogP30.3
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count5
Rotatable Bond Count6
Exact Mass419.26448794
Monoisotopic Mass419.26448794
Topological Polar Surface Area85.2 Ų
Heavy Atom Count30
Formal Charge0
Complexity648
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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CatalogName
M36229-01Stacofylline

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