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LY3027788 hydrochloride

CAT: 0013-GTR19189701Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19189701Size:5 mg
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Description
LY3027788 hydrochloride is an orally bioavailable prodrug of the selective mGlu2/3 receptor antagonist LY3020371. This diester analog has demonstrated antidepressant-like efficacy in preclinical studies, making it a valuable research tool for investigating glutamatergic pathways in mood disorders and related neuropsychiatric conditions.
CAS Number
1377615-55-8
Field of Research
Neuroscience
Smiles
Cl.[H][C@]12[C@H] (C (=O) OCOC (=O) OC (C) C) [C@@]1 ([H]) [C@@] (N) ([C@H] (CSc1ccc (F) c (F) c1) [C@H]2O) C (=O) OCOC (=O) OC (C) C
Molecular Formula
C25H32ClF2NO11S
Molecular Weight
628.03
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

LY3027788 hydrochloride
CAS Number1377615-55-8
PubChem CID69669694
IUPAC Namebis(propan-2-yloxycarbonyloxymethyl) (1S,2R,3S,4S,5R,6R)-2-amino-3-[(3,4-difluorophenyl)sulfanylmethyl]-4-hydroxybicyclo[3.1.0]hexane-2,6-dicarboxylate;hydrochloride
Molecular FormulaC25H32ClF2NO11S
Molecular Weight628.0
Topological Polar Surface Area195
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count15
Rotatable Bond Count17
Heavy Atom Count41
Formal Charge0
Complexity940
SMILES
CC(C)OC(=O)OCOC(=O)[C@H]1[C@H]2[C@@H]1[C@@]([C@@H]([C@H]2O)CSC3=CC(=C(C=C3)F)F)(C(=O)OCOC(=O)OC(C)C)N.Cl
InChI
InChI=1S/C25H31F2NO11S.ClH/c1-11(2)38-23(32)36-9-34-21(30)18-17-19(18)25(28,22(31)35-10-37-24(33)39-12(3)4)14(20(17)29)8-40-13-5-6-15(26)16(27)7-13;/h5-7,11-12,14,17-20,29H,8-10,28H2,1-4H3;1H/t14-,17+,18+,19+,20-,25+;/m1./s1
InChIKey
FUEQYOZWBYVZQM-GSLULZTOSA-N
Chemical Structure
2D Structure
2D structure of LY3027788 hydrochloride
CAS: 1377615-55-8
CID: 69669694
Formula: C25H32ClF2NO11S
MW: 628.0
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight628.0
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count15
Rotatable Bond Count17
Exact Mass627.1352660
Monoisotopic Mass627.1352660
Topological Polar Surface Area195 Ų
Heavy Atom Count41
Formal Charge0
Complexity940
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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