Physicochemical Properties
| Molecular Formula | C13H14BRN3O |
| Molecular Weight | 308.173761844635 |
| Exact Mass | 307.032 |
| Elemental Analysis | C, 50.67; H, 4.58; Br, 25.93; N, 13.64; O, 5.19 |
| CAS # | 330981-72-1 |
| PubChem CID | 5332859 |
| Appearance | Light yellow to yellow solid powder |
| Density | 1.5±0.1 g/cm3 |
| Boiling Point | 386.9±42.0 °C at 760 mmHg |
| Flash Point | 187.8±27.9 °C |
| Vapour Pressure | 0.0±0.9 mmHg at 25°C |
| Index of Refraction | 1.648 |
| LogP | 2.32 |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 4 |
| Rotatable Bond Count | 4 |
| Heavy Atom Count | 18 |
| Complexity | 246 |
| Defined Atom Stereocenter Count | 0 |
| SMILES | CC1=CC(=NCCO)N=C(C2=CC=C(C=C2)Br)N1 |
| InChi Key | DUKPGOOUJNUIOI-UHFFFAOYSA-N |
| InChi Code | InChI=1S/C13H14BrN3O/c1-9-8-12(15-6-7-18)17-13(16-9)10-2-4-11(14)5-3-10/h2-5,8,18H,6-7H2,1H3,(H,15,16,17) |
| Chemical Name | 2-[[2-(4-bromophenyl)-6-methylpyrimidin-4-yl]amino]ethanol |
| Synonyms | AS1269574; AS-1269574; AS 1269574 |
| 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 Note: This product requires protection from light (avoid light exposure) during transportation and storage. |
| 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 Vivo | AS1269574 significantly lowered blood glucose AUC 2 hours after injection (AUC0-2h)[1]. |
| Animal Protocol |
Animal/Disease Models: 8weeks old ICR mice [1] Doses: 100 mg/kg Route of Administration: Po Experimental Results: Blood glucose AUC was Dramatically diminished after 2 hrs (hrs (hours)) of administration (AUC0-2h). Similarly, mouse plasma insulin AUC0-2h was Dramatically higher. |
| References |
[1]. Identification of a novel GPR119 agonist, AS1269574, with in vitro and in vivo glucose-stimulated insulin secretion. Biochem Biophys Res Commun. 2010;400(3):437-441. [2]. GPR119 Agonist AS1269574 Activates TRPA1 Cation Channels to Stimulate GLP-1 Secretion. Mol Endocrinol. 2016;30(6):614-629. |
| Additional Infomation | AS-1269574 is an organobromine compound. |
Solubility Data
| Solubility (In Vitro) | DMSO : ~250 mg/mL (~811.24 mM) |
| Solubility (In Vivo) |
Solubility in Formulation 1: ≥ 2.08 mg/mL (6.75 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 (6.75 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. Solubility in Formulation 3: ≥ 2.08 mg/mL (6.75 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 20.8 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 | 3.2450 mL | 16.2248 mL | 32.4496 mL | |
| 5 mM | 0.6490 mL | 3.2450 mL | 6.4899 mL | |
| 10 mM | 0.3245 mL | 1.6225 mL | 3.2450 mL |