Physicochemical Properties
| Molecular Formula | C23H23FN4S |
| Molecular Weight | 406.5234 |
| Exact Mass | 406.162 |
| CAS # | 1304630-27-0 |
| PubChem CID | 46853593 |
| Appearance | White to off-white solid powder |
| Density | 1.2±0.1 g/cm3 |
| Boiling Point | 574.9±60.0 °C at 760 mmHg |
| Flash Point | 301.5±32.9 °C |
| Vapour Pressure | 0.0±1.6 mmHg at 25°C |
| Index of Refraction | 1.643 |
| LogP | 6.24 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 5 |
| Rotatable Bond Count | 5 |
| Heavy Atom Count | 29 |
| Complexity | 537 |
| Defined Atom Stereocenter Count | 0 |
| InChi Key | WDEKUGNKKOGFOA-UHFFFAOYSA-N |
| InChi Code | InChI=1S/C23H23FN4S/c1-5-17-10-20(15(3)8-14(17)2)26-23-27-21(12-29-23)18-6-7-22(19(24)9-18)28-11-16(4)25-13-28/h6-13H,5H2,1-4H3,(H,26,27) |
| Chemical Name | N-(5-ethyl-2,4-dimethylphenyl)-4-[3-fluoro-4-(4-methylimidazol-1-yl)phenyl]-1,3-thiazol-2-amine |
| Synonyms | NGP555; NGP 555; NGP-555 |
| 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 | In cell culture, NGP555 efficiently lowers Aβ42 (9 nM) while raising shorter forms of Aβ [1]. |
| ln Vivo | Panel B shows the considerable reduction of Aβ42 in cerebrospinal fluid (CSF) after 8 to 10 hours of dosage with NGP555. Panel C shows a significant decrease in Aβ levels in CSF at 3.75 mg/kg and higher when NGP555 was used. It was demonstrated that at NGP555 doses of 15 mg/kg and above, Aβ38 levels rose. NGP555 successfully raises the CSF Aβ38/42 ratio to 1.87 mg/kg and above when the decrease in Aβ42 is paired with the increase in Aβ38 (Figure D). NGP555-treated Tg mice demonstrated considerable protection against performance decline, lowering the decline by more than 65% (P<0.005) when compared to non-Tg vehicle-treated mice. NGP555 also shows good brain penetration and oral bioavailability in mice, with a brain:plasma ratio of roughly 0.93 [1]. |
| References |
[1]. NGP 555, a γ-Secretase Modulator, Lowers the Amyloid Biomarker, Aβ42, in Cerebrospinal Fluid while Preventing Alzheimer's Disease Cognitive Decline in Rodents. Alzheimers Dement (N Y). 2017 Jan;3(1):65-73. |
Solubility Data
| Solubility (In Vitro) | DMSO : ~25 mg/mL (~61.50 mM) |
| Solubility (In Vivo) |
Solubility in Formulation 1: 2.5 mg/mL (6.15 mM) in 10% DMSO + 40% PEG300 + 5% Tween80 + 45% Saline (add these co-solvents sequentially from left to right, and one by one), suspension solution; with sonication. 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 (6.15 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 | 2.4599 mL | 12.2995 mL | 24.5990 mL | |
| 5 mM | 0.4920 mL | 2.4599 mL | 4.9198 mL | |
| 10 mM | 0.2460 mL | 1.2300 mL | 2.4599 mL |