LY 2389575 hydrochloride

CAT: 0931-T22204-01Size: 1 mgDry Ice: NoHazardous: No

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CAT#:0931-T22204-01Size:1 mg

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CAS Number

885104-09-6

Target

Beta Amyloid, GluR

Related Pathways

Neuroscience

Purity

>99.99%

Bioactivity

LY2389575 hydrochloride is an mGlu3 negative allosteric modulator (NAM) that is selective and non-competitive, with an IC50 value of 190 nM. LY2389575 hydrochloride induces an increase in the level of Mrc1, which amplifies the toxicity of β-amyloid (Aβ), and can be used to study Alzheimer's disease. It can be used to study Alzheimer's disease.

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

Shipping Conditions

Ice Packs

Storage Temperature

-20°C

Chemical Information

LY 2389575 hydrochloride

CAS Number	885104-09-6
PubChem CID	11503054
IUPAC Name	(3S)-1-(5-bromopyrimidin-2-yl)-N-[(2,4-dichlorophenyl)methyl]pyrrolidin-3-amine;hydrochloride
Molecular Formula	C15H16BrCl3N4
Molecular Weight	438.6
Topological Polar Surface Area	41.1
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	4
Heavy Atom Count	23
Formal Charge	0
Complexity	354

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

CAS: 885104-09-6

CID: 11503054

Formula: C15H16BrCl3N4

MW: 438.6

Interactive 3D Structure

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Computed Properties

Property	Value
Molecular Weight	438.6
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	4
Exact Mass	435.96239
Monoisotopic Mass	435.96239
Topological Polar Surface Area	41.1 Å²
Heavy Atom Count	23
Formal Charge	0
Complexity	354
Isotope Atom Count	0
Defined Atom Stereocenter Count	1
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	2
Compound Is Canonicalized	Yes

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