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LY3020371 hydrochloride

CAT: 0931-T11911-01Size: 100 mgDry Ice: NoHazardous: No
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CAT#:0931-T11911-01Size:100 mg
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CAS Number
1377615-44-5
Target
GluR
Related Pathways
Neuroscience
Bioactivity
LY3020371 hydrochloride exerts an antidepressant-like signature in vivo. LY3020371 hydrochloride is a potent, selective metabotropic glutamate 2/3 receptor (mGlu2/3) antagonist with Ki of 5.3 and 2.5 nM, potently blocks cAMP formation with IC50 of 16.2 nM.
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
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

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...
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