Products for Research Use Only
RegisterLogin

GABAA receptor modulator-5

CAT: 0804-HY-161784Size: 1 EachDry Ice: NoHazardous: No
Product image 1
1 / 1
CAT#:0804-HY-161784Size:1 Each
Selected
24/48H Stock Items & 2 to 6 Weeks non Stock Items.
Quick Request Actions
Description
GABAA receptor modulator-5 (Compound S28) is a modulator for (γ-aminobutyric acid) A receptor (GABAA receptor), with EC50 of 56 nM and 10 nM, for α1β2γ2 and α4β3δ subtype. GABAA receptor modulator-5 exhibits good pharmacokinetic characteristics in rats. GABAA receptor modulator-5 is slightly toxic toxicity in rats with a loss of rollover reflex (LORR) threshold dose of 23.3 μmol/kg, and exhibits potential ameliorating the postpartum depression[1].
CAS Number
3021554-08-2
UNSPSC
12352005
Target
GABA Receptor
Type
Reference compound
Related Pathways
Membrane Transporter/Ion Channel; Neuronal Signaling
Applications
Neuroscience-Neuromodulation
Field of Research
Neurological Disease
Assay Protocol
https://www.medchemexpress.com/gabaa-receptor-modular-3.html
Smiles
C[C@@]12[C@](CC[C@@H]2C(CN3C=NN(C4=CC(F)=NC(F)=C4)C3=O)=O)([H])[C@]5([H])CC[C@]6([H])C[C@@](O)(C)CC[C@]6([H])[C@@]5([H])CC1
Molecular Formula
C28H36F2N4O3
Molecular Weight
514.61
References & Citations
[1]Ma M, et al., Synthesis and evaluation of neuroactive steroids with novel pharmacophore at C-21 let identify a compound with advantageous PK profile and higher EC50 and Emax as PAM on GABAA receptor. Eur J Med Chem. 2024 Jun 22;276:116602.
Shipping Conditions
Room temperature
Scientific Category
Reference compound1
Clinical Information
No Development Reported

Chemical Information

GABAA receptor modular-3
CAS Number3021554-08-2
PubChem CID171904684
IUPAC Name2-(2,6-difluoro-4-pyridinyl)-4-[2-[(3R,5R,8R,9R,10S,13S,14S,17S)-3-hydroxy-3,13-dimethyl-2,4,5,6,7,8,9,10,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]-2-oxoethyl]-1,2,4-triazol-3-one
Molecular FormulaC28H36F2N4O3
Molecular Weight514.6
XLogP5.4
Topological Polar Surface Area86.1
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count7
Rotatable Bond Count4
Heavy Atom Count37
Formal Charge0
Complexity956
SMILES
C[C@]1(CC[C@H]2[C@@H](C1)CC[C@@H]3[C@@H]2CC[C@]4([C@H]3CC[C@@H]4C(=O)CN5C=NN(C5=O)C6=CC(=NC(=C6)F)F)C)O
InChI
InChI=1S/C28H36F2N4O3/c1-27(37)9-7-18-16(13-27)3-4-20-19(18)8-10-28(2)21(20)5-6-22(28)23(35)14-33-15-31-34(26(33)36)17-11-24(29)32-25(30)12-17/h11-12,15-16,18-22,37H,3-10,13-14H2,1-2H3/t16-,18+,19-,20-,21+,22-,27-,28+/m1/s1
InChIKey
GHAOOCHLXKWFCW-FRIXSPHFSA-N
Chemical Structure
2D Structure
2D structure of GABAA receptor modular-3
CAS: 3021554-08-2
CID: 171904684
Formula: C28H36F2N4O3
MW: 514.6
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight514.6
XLogP35.4
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count7
Rotatable Bond Count4
Exact Mass514.27554735
Monoisotopic Mass514.27554735
Topological Polar Surface Area86.1 Ų
Heavy Atom Count37
Formal Charge0
Complexity956
Isotope Atom Count0
Defined Atom Stereocenter Count8
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Related Products

CatalogName
HY-170771α5-GABAA receptor modulator 1
HY-147657GABAA receptor modulator-2
HY-178782GABAA receptor modulator-11
HY-W070739GABAA receptor modulator-12
HY-175670GABAA receptor modulator-10
HY-109572GABAA receptor modulator-1
HY-175251GABAA receptor modulator-9
HY-173616GABAA receptor modulator-8
HY-170903GABAA receptor modulator-3
HY-170902GABAA receptor modulator-4

Alternative Products

CatalogName
GTR19249569-01α5-GABAA receptor modulator 1
T207320-01GABAA receptor modulator-8
T205164-01GABAA receptor modulator-4
T205029-01GABAA receptor modulator-3
T62885-01GABAA receptor modulator-2
GTR19274268-01GABAA receptor modulator-11
GTR19273454-01GABAA receptor modulator-12
T206728-01GABAA receptor modulator-7
GTR19273074-01GABAA receptor modulator-10
GTR19264185-01GABAA receptor modulator-9

Popular Products