Products for Research Use Only

YY-23

CAT: 0013-GTR19258763-01Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19258763-01Size:50 mg
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Description
YY-23 is a selective NMDAR (containing GluN2C or GluN2D) inhibitor. By inhibiting NMDARs with GluN2D on GABAergic interneurons in the prefrontal cortex, YY-23 suppresses GABAergic neurotransmission and enhances excitatory transmission. YY-23 exhibits antidepressant activity and is useful for neurological disease research.
CAS Number
1365029-75-9
Field of Research
Neuroscience, Pharmacology & Drug Discovery
Smiles
C[C@@]12[C@] ([C@]3 ([C@] (CC1) ([C@]4 (C) [C@] (CC3) (C[C@@H] (O) CC4) [H]) [H]) [H]) (C[C@]5 ([C@@]2 (C (C) =C (CC[C@@H] (CO[C@@H]6O[C@H] (CO) [C@@H] (O) [C@H] (O) [C@H]6O) C) O5) [H]) [H]) [H]
Molecular Formula
C33H54O8
Molecular Weight
578.777
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

(2R,3S,4S,5R,6R)-2-(hydroxymethyl)-6-[(2S)-4-[(1R,2S,4S,8S,9S,12S,13S,16S,18R)-16-hydroxy-7,9,13-trimethyl-5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icos-6-en-6-yl]-2-methylbutoxy]oxane-3,4,5-triol
CAS Number1365029-75-9
PubChem CID71603821
IUPAC Name(2R,3S,4S,5R,6R)-2-(hydroxymethyl)-6-[(2S)-4-[(1R,2S,4S,8S,9S,12S,13S,16S,18R)-16-hydroxy-7,9,13-trimethyl-5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icos-6-en-6-yl]-2-methylbutoxy]oxane-3,4,5-triol
Molecular FormulaC33H54O8
Molecular Weight578.8
XLogP4.1
Topological Polar Surface Area129
Hydrogen Bond Donor Count5
Hydrogen Bond Acceptor Count8
Rotatable Bond Count7
Heavy Atom Count41
Formal Charge0
Complexity986
SMILES
CC1=C(O[C@@H]2[C@H]1[C@]3(CC[C@H]4[C@H]([C@@H]3C2)CC[C@H]5[C@@]4(CC[C@@H](C5)O)C)C)CC[C@H](C)CO[C@H]6[C@@H]([C@H]([C@@H]([C@H](O6)CO)O)O)O
InChI
InChI=1S/C33H54O8/c1-17(16-39-31-30(38)29(37)28(36)26(15-34)41-31)5-8-24-18(2)27-25(40-24)14-23-21-7-6-19-13-20(35)9-11-32(19,3)22(21)10-12-33(23,27)4/h17,19-23,25-31,34-38H,5-16H2,1-4H3/t17-,19+,20-,21+,22-,23-,25-,26+,27-,28+,29-,30+,31+,32-,33-/m0/s1
InChIKey
ULAQNECPQWONTI-BBNJPIQUSA-N
Chemical Structure
2D Structure
2D structure of (2R,3S,4S,5R,6R)-2-(hydroxymethyl)-6-[(2S)-4-[(1R,2S,4S,8S,9S,12S,13S,16S,18R)-16-hydroxy-7,9,13-trimethyl-5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icos-6-en-6-yl]-2-methylbutoxy]oxane-3,4,5-triol
CAS: 1365029-75-9
CID: 71603821
Formula: C33H54O8
MW: 578.8
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight578.8
XLogP34.1
Hydrogen Bond Donor Count5
Hydrogen Bond Acceptor Count8
Rotatable Bond Count7
Exact Mass578.38186868
Monoisotopic Mass578.38186868
Topological Polar Surface Area129 Ų
Heavy Atom Count41
Formal Charge0
Complexity986
Isotope Atom Count0
Defined Atom Stereocenter Count15
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes