Physicochemical Properties
| Molecular Formula | C15H16BRCL3N4 |
| Molecular Weight | 438.57 |
| Exact Mass | 435.962 |
| CAS # | 885104-09-6 |
| Related CAS # | 885102-71-6;885104-09-6 (HCl); |
| PubChem CID | 11503054 |
| Appearance | White to light yellow solid powder |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 4 |
| Rotatable Bond Count | 4 |
| Heavy Atom Count | 23 |
| Complexity | 354 |
| Defined Atom Stereocenter Count | 1 |
| SMILES | C1CN(C[C@H]1NCC2=C(C=C(C=C2)Cl)Cl)C3=NC=C(C=N3)Br.Cl |
| InChi Key | IRIBLLOEUZMCQY-ZOWNYOTGSA-N |
| InChi Code | 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 |
| Chemical Name | (3S)-1-(5-bromopyrimidin-2-yl)-N-[(2,4-dichlorophenyl)methyl]pyrrolidin-3-amine;hydrochloride |
| Synonyms | LY 2389575 LY2389575 LY-2389575 |
| HS Tariff Code | 2934.99.9001 |
| Storage |
Powder-20°C 3 years 4°C 2 years In solvent -80°C 6 months -20°C 1 month |
| Shipping Condition | Room temperature (This product is stable at ambient temperature for a few days during ordinary shipping and time spent in Customs) |
Biological Activity
| ln Vitro | qPCR in real time[2] |
| Cell Assay |
Real Time qPCR[2] Cell Types: Microglial cells Tested Concentrations: 5 μM Incubation Duration: 1 h Experimental Results: Increased levels of Mrc1. LY2389575 Hydrochide (5 μM; 1 h) induces increased levels of Mrc1 in small astrocytes[2] . . |
| References |
[1]. Targeting group II metabotropic glutamate (mGlu) receptors for the treatment of psychosis associated with Alzheimer's disease: selective activation of mGlu2 receptors amplifies beta-amyloid toxicity in cultured neurons, whereas dual activation of mGlu2 and mGlu3 receptors is neuroprotective. Mol Pharmacol. 2011 Mar;79(3):618-26. [2]. mGlu3 receptor regulates microglial cell reactivity in neonatal rats. J Neuroinflammation. 2021 Jan 6;18(1):13. [3]. Metabotropic Glutamate Receptors in Alzheimer's Disease Synaptic Dysfunction: Therapeutic Opportunities and Hope for the Future. J Alzheimers Dis. 2020;78(4):1345-1361. |
Solubility Data
| Solubility (In Vitro) |
DMSO : ~100 mg/mL (~228.01 mM) MEthanol : ~8.33 mg/mL (~18.99 mM) |
| Solubility (In Vivo) |
Solubility in Formulation 1: ≥ 2.5 mg/mL (5.70 mM) (saturation unknown) in 10% DMSO + 40% PEG300 + 5% Tween80 + 45% Saline (add these co-solvents sequentially from left to right, and one by one), clear solution. For example, if 1 mL of working solution is to be prepared, you can add 100 μL of 25.0 mg/mL clear DMSO stock solution to 400 μL PEG300 and mix evenly; then add 50 μL Tween-80 to the above solution and mix evenly; then add 450 μL normal saline to adjust the volume to 1 mL. Preparation of saline: Dissolve 0.9 g of sodium chloride in 100 mL ddH₂ O to obtain a clear solution. Solubility in Formulation 2: ≥ 2.5 mg/mL (5.70 mM) (saturation unknown) in 10% DMSO + 90% (20% SBE-β-CD in Saline) (add these co-solvents sequentially from left to right, and one by one), clear solution. For example, if 1 mL of working solution is to be prepared, you can add 100 μL of 25.0 mg/mL clear DMSO stock solution to 900 μL of 20% SBE-β-CD physiological saline solution and mix evenly. Preparation of 20% SBE-β-CD in Saline (4°C，1 week): Dissolve 2 g SBE-β-CD in 10 mL saline to obtain a clear solution. Solubility in Formulation 3: ≥ 2.5 mg/mL (5.70 mM) (saturation unknown) in 10% DMSO + 90% Corn Oil (add these co-solvents sequentially from left to right, and one by one), clear solution. For example, if 1 mL of working solution is to be prepared, you can add 100 μL of 25.0 mg/mL clear DMSO stock solution to 900 μL of corn oil and mix evenly. (Please use freshly prepared in vivo formulations for optimal results.) |
| Preparing Stock Solutions | 1 mg | 5 mg | 10 mg | |
| 1 mM | 2.2801 mL | 11.4007 mL | 22.8014 mL | |
| 5 mM | 0.4560 mL | 2.2801 mL | 4.5603 mL | |
| 10 mM | 0.2280 mL | 1.1401 mL | 2.2801 mL |