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Purity: ≥98%
GNE-9605 (GNE 9605; GNE9605) is a novel, brain-penetrant, highly potent and selective leucine-rich repeat kinase 2 (LRRK2) inhibitor with anti-PD (Parkinson's disease) activity. It inhibits LRRK2 with a Ki and an IC50 of 2 nM and 19 nM, respectively. In human hepatocytes and liver microsomes, GNE-9605 exhibited excellent human metabolic stability.
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| ln Vivo |
LRRK2 Ser1292 autophosphorylation is inhibited by GNE-9605 (10 and 50 mg/kg; ip; once) in BAC transgenic mice that express human LRRK2 protein[1]. In the biochemical assay, GNE-9605 (1 mg/kg, po; 0.5 mg/kg, iv; once) exhibits LRRK2 Ki of 2 nM and a cellular IC50 of 19 nM. GNE-9605 has exceptional oral bioavailability and total plasma clearance [1].
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| Animal Protocol |
Animal/Disease Models: BAC transgenic mice expressing human LRRK2 protein[1] .
Doses: 10 and 50 mg/kg Route of Administration: intraperitoneal (ip)injection; once Experimental Results: Inhibited LRRK2 Ser1292 autophosphorylation in a dose-dependent manner. Animal/Disease Models: BAC transgenic mice expressing human LRRK2 protein[1]. Doses: 1 mg/kg, po ; 0.5 mg/kg, iv Route of Administration: Oral administration and intravenous (iv) injection; once Experimental Results: Demonstrated a total plasma clearance of 26 mL min-1 kg-1 with excellent oral bioavailability (90%). |
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| References |
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| Molecular Formula |
C17H20CLF4N7O
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| Molecular Weight |
449.83
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| Exact Mass |
449.135
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| CAS # |
1536200-31-3
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| Related CAS # |
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| PubChem CID |
76328936
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| Appearance |
White to off-white solid powder
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| Density |
1.7±0.1 g/cm3
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| Boiling Point |
587.9±60.0 °C at 760 mmHg
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| Flash Point |
309.4±32.9 °C
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| Vapour Pressure |
0.0±1.6 mmHg at 25°C
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| Index of Refraction |
1.663
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| LogP |
1.15
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| Hydrogen Bond Donor Count |
2
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| Hydrogen Bond Acceptor Count |
11
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| Rotatable Bond Count |
5
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| Heavy Atom Count |
30
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| Complexity |
587
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| Defined Atom Stereocenter Count |
2
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| SMILES |
CNC1=NC(=NC=C1C(F)(F)F)NC2=C(N(N=C2)[C@H]3CCN(C[C@@H]3F)C4COC4)Cl
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| InChi Key |
PUXPEQJKNAWNQA-AAEUAGOBSA-N
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| InChi Code |
InChI=1S/C17H20ClF4N7O/c1-23-15-10(17(20,21)22)4-24-16(27-15)26-12-5-25-29(14(12)18)13-2-3-28(6-11(13)19)9-7-30-8-9/h4-5,9,11,13H,2-3,6-8H2,1H3,(H2,23,24,26,27)/t11-,13-/m0/s1
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| Chemical Name |
2-N-[5-chloro-1-[(3S,4S)-3-fluoro-1-(oxetan-3-yl)piperidin-4-yl]pyrazol-4-yl]-4-N-methyl-5-(trifluoromethyl)pyrimidine-2,4-diamine
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| Synonyms |
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| HS Tariff Code |
2934.99.9001
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| Storage |
Powder -20°C 3 years 4°C 2 years In solvent -80°C 6 months -20°C 1 month |
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| Shipping Condition |
Room temperature (This product is stable at ambient temperature for a few days during ordinary shipping and time spent in Customs)
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| Solubility (In Vitro) |
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| Solubility (In Vivo) |
Solubility in Formulation 1: ≥ 2.08 mg/mL (4.62 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 20.8 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: ≥ 2.08 mg/mL (4.62 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 20.8 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. View More
Solubility in Formulation 3: ≥ 2.08 mg/mL (4.62 mM) (saturation unknown) in 10% DMSO + 90% Corn Oil (add these co-solvents sequentially from left to right, and one by one), clear solution. |
| Preparing Stock Solutions | 1 mg | 5 mg | 10 mg | |
| 1 mM | 2.2231 mL | 11.1153 mL | 22.2306 mL | |
| 5 mM | 0.4446 mL | 2.2231 mL | 4.4461 mL | |
| 10 mM | 0.2223 mL | 1.1115 mL | 2.2231 mL |
*Note: Please select an appropriate solvent for the preparation of stock solution based on your experiment needs. For most products, DMSO can be used for preparing stock solutions (e.g. 5 mM, 10 mM, or 20 mM concentration); some products with high aqueous solubility may be dissolved in water directly. Solubility information is available at the above Solubility Data section. Once the stock solution is prepared, aliquot it to routine usage volumes and store at -20°C or -80°C. Avoid repeated freeze and thaw cycles.
Calculation results
Working concentration： mg/mL；
Method for preparing DMSO stock solution： mg drug pre-dissolved in μL DMSO (stock solution concentration mg/mL). Please contact us first if the concentration exceeds the DMSO solubility of the batch of drug.
Method for preparing in vivo formulation:：Take μL DMSO stock solution, next add μL PEG300, mix and clarify, next addμL Tween 80, mix and clarify, next add μL ddH2O，mix and clarify.
(1) Please be sure that the solution is clear before the addition of next solvent. Dissolution methods like vortex, ultrasound or warming and heat may be used to aid dissolving.
(2) Be sure to add the solvent(s) in order.
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