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SGE-516

CAT: 0013-GTR19196508-01Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19196508-01Size:25 mg
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Description
SGE516 is a neuroactive steroid acting as a positive allosteric modulator of γ- and δ-subunit-containing GABAA receptors. It demonstrates anticonvulsant and neuroprotective properties, reducing neuronal firing, epileptiform activity in vitro, and acute seizures and cell death in vivo, making it a valuable research tool for studying epilepsy and neuroprotection.
CAS Number
1430064-74-6
Field of Research
Neuroscience, Pharmacology & Drug Discovery
Smiles
C[C@@]12[C@] ([C@]3 ([C@] (CC1) ([C@@]4 ([C@] (CC3) (C[C@] (C) (O) CC4) [H]) [H]) [H]) [H]) (CC[C@@H]2C (CN5N=CC=N5) =O) [H]
Molecular Formula
C23H35N3O2
Molecular Weight
385.54
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

1-[(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-(triazol-2-yl)ethanone
CAS Number1430064-74-6
PubChem CID71553591
IUPAC Name1-[(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-(triazol-2-yl)ethanone
Molecular FormulaC23H35N3O2
Molecular Weight385.5
XLogP4.8
Topological Polar Surface Area68
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count3
Heavy Atom Count28
Formal Charge0
Complexity621
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)CN5N=CC=N5)C)O
InChI
InChI=1S/C23H35N3O2/c1-22(28)9-7-16-15(13-22)3-4-18-17(16)8-10-23(2)19(18)5-6-20(23)21(27)14-26-24-11-12-25-26/h11-12,15-20,28H,3-10,13-14H2,1-2H3/t15-,16+,17-,18-,19+,20-,22-,23+/m1/s1
InChIKey
NNHRCSJWUBQYQV-YHWBJDLNSA-N
Chemical Structure
2D Structure
2D structure of 1-[(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-(triazol-2-yl)ethanone
CAS: 1430064-74-6
CID: 71553591
Formula: C23H35N3O2
MW: 385.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight385.5
XLogP34.8
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count3
Exact Mass385.27292737
Monoisotopic Mass385.27292737
Topological Polar Surface Area68 Ų
Heavy Atom Count28
Formal Charge0
Complexity621
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

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