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LY 2389575 hydrochloride

CAT: 0013-GTR19213142-01Size: 1 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19213142-01Size:1 mg
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Description
LY2389575 hydrochloride is a selective, non-competitive mGlu3 negative allosteric modulator (IC50 = 190 nM) . It is used in Alzheimer's disease research, where it has been shown in experimental models to upregulate Mrc1 and exacerbate β-amyloid toxicity, providing a tool for studying disease mechanisms.
CAS Number
885104-09-6
Product Name Alternative
βAmyloid, β Amyloid, bAmyloid, Aβ, b Amyloid, BetaAmyloid, Beta Amyloid, LY 2389575 hydrochloride, LY 2389575 Hydrochloride, LY2389575 Hydrochloride, LY-2389575 Hydrochloride, mGluR
Field of Research
Neuroscience
Purity
99.45% (May vary between batches)
Solubility
10% DMSO+40% PEG300+5% Tween 80+45% Saline:3.3 mg/mL (7.52 mM) ; DMSO:90 mg/mL (205.21 mM) ; Methanol:7.5 mg/mL (17.1 mM)
Smiles
N (CC1=C (Cl) C=C (Cl) C=C1) [C@@H]2CN (CC2) C=3N=CC (Br) =CN3.Cl
Molecular Formula
C15H16BrCl3N4
Molecular Weight
438.58
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

LY 2389575 hydrochloride
CAS Number885104-09-6
PubChem CID11503054
IUPAC Name(3S)-1-(5-bromopyrimidin-2-yl)-N-[(2,4-dichlorophenyl)methyl]pyrrolidin-3-amine;hydrochloride
Molecular FormulaC15H16BrCl3N4
Molecular Weight438.6
Topological Polar Surface Area41.1
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count4
Heavy Atom Count23
Formal Charge0
Complexity354
SMILES
C1CN(C[C@H]1NCC2=C(C=C(C=C2)Cl)Cl)C3=NC=C(C=N3)Br.Cl
InChI
InChI=1S/C15H15BrCl2N4.ClH/c16-11-7-20-15(21-8-11)22-4-3-13(9-22)19-6-10-1-2-12(17)5-14(10)18;/h1-2,5,7-8,13,19H,3-4,6,9H2;1H/t13-;/m0./s1
InChIKey
IRIBLLOEUZMCQY-ZOWNYOTGSA-N
Chemical Structure
2D Structure
2D structure of LY 2389575 hydrochloride
CAS: 885104-09-6
CID: 11503054
Formula: C15H16BrCl3N4
MW: 438.6
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight438.6
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count4
Exact Mass435.96239
Monoisotopic Mass435.96239
Topological Polar Surface Area41.1 Ų
Heavy Atom Count23
Formal Charge0
Complexity354
Isotope Atom Count0
Defined Atom Stereocenter Count1
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count2
Compound Is CanonicalizedYes

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