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LY3020371 hydrochloride

CAT: 0013-GTR19205489-01Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19205489-01Size:50 mg
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Description
LY3020371 hydrochloride is a potent and selective mGlu2/3 receptor antagonist, demonstrating antidepressant-like effects in vivo. It exhibits high affinity (Ki 2.5-5.3 nM) and blocks receptor-mediated cAMP formation (IC50 16.2 nM), making it a valuable tool for investigating mood disorders and glutamate signaling in both in vitro and in vivo research.
CAS Number
1377615-44-5
Field of Research
Neuroscience
Smiles
Cl.[H][C@]12[C@H] (C (O) =O) [C@@]1 ([H]) [C@@] (N) ([C@H] (CSc1ccc (F) c (F) c1) [C@H]2O) C (O) =O
Molecular Formula
C15H16ClF2NO5S
Molecular Weight
395.81
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

LY3020371 (hydrochloride)
CAS Number1377615-44-5
PubChem CID69669746
IUPAC Name(1S,2R,3S,4S,5R,6R)-2-amino-3-[(3,4-difluorophenyl)sulfanylmethyl]-4-hydroxybicyclo[3.1.0]hexane-2,6-dicarboxylic acid;hydrochloride
Molecular FormulaC15H16ClF2NO5S
Molecular Weight395.8
Topological Polar Surface Area146
Hydrogen Bond Donor Count5
Hydrogen Bond Acceptor Count9
Rotatable Bond Count5
Heavy Atom Count25
Formal Charge0
Complexity552
SMILES
C1=CC(=C(C=C1SC[C@@H]2[C@H]([C@H]3[C@@H]([C@H]3[C@@]2(C(=O)O)N)C(=O)O)O)F)F.Cl
InChI
InChI=1S/C15H15F2NO5S.ClH/c16-7-2-1-5(3-8(7)17)24-4-6-12(19)9-10(13(20)21)11(9)15(6,18)14(22)23;/h1-3,6,9-12,19H,4,18H2,(H,20,21)(H,22,23);1H/t6-,9+,10+,11+,12-,15+;/m1./s1
InChIKey
XETSGLSGWGGOTN-JPWNOPPSSA-N
Chemical Structure
2D Structure
2D structure of LY3020371 (hydrochloride)
CAS: 1377615-44-5
CID: 69669746
Formula: C15H16ClF2NO5S
MW: 395.8
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight395.8
Hydrogen Bond Donor Count5
Hydrogen Bond Acceptor Count9
Rotatable Bond Count5
Exact Mass395.0405778
Monoisotopic Mass395.0405778
Topological Polar Surface Area146 Ų
Heavy Atom Count25
Formal Charge0
Complexity552
Isotope Atom Count0
Defined Atom Stereocenter Count6
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count2
Compound Is CanonicalizedYes

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