Physicochemical Properties
| Molecular Formula | C12H11N3O2 |
| Molecular Weight | 229.24 |
| Exact Mass | 229.085 |
| Elemental Analysis | C, 62.87; H, 4.84; N, 18.33; O, 13.96 |
| CAS # | 299442-43-6 |
| PubChem CID | 2772368 |
| Appearance | Off-white to light yellow solid powder |
| LogP | 2.145 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 5 |
| Rotatable Bond Count | 1 |
| Heavy Atom Count | 17 |
| Complexity | 310 |
| Defined Atom Stereocenter Count | 0 |
| SMILES | C1=COC(=C1)C2CC3=NC(=N)NC=C3C(=O)C2 |
| InChi Key | SOJUSNIBPPMLCC-UHFFFAOYSA-N |
| InChi Code | InChI=1S/C12H11N3O2/c13-12-14-6-8-9(15-12)4-7(5-10(8)16)11-2-1-3-17-11/h1-3,6-7H,4-5H2,(H2,13,14,15) |
| Chemical Name | 2-amino-7-(furan-2-yl)-7,8-dihydro-6H-quinazolin-5-one |
| Synonyms | NKY-80; NKY 80; NKY80 |
| 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 | At its maximum concentration of 10 nM, NKY80 (20 μM) bursts, resulting in increased levels of ventricular cAMP and LVP [2]. In isolated JG cells, NKY80 (20 μM; 2 hours) entirely bursts increases in cAMP concentration and renin release [3]. |
| References |
[1]. Type-specific regulation of adenylyl cyclase. Selective pharmacological stimulation and inhibitionof adenylyl cyclase isoforms. Biol Chem. 2001 Dec 21;276(51):47785-93. [2]. Insulin-like stimulation of cardiac fuel metabolism by physiological levels of glucagon: involvement of PI3K but not cAMP. Am J Physiol Endocrinol Metab. 2008 Jul;295(1):E155-61. [3]. Adenylyl cyclase isoform v mediates renin release from juxtaglomerular cells. Hypertension. 2007 Mar;49(3):618-24. |
Solubility Data
| Solubility (In Vitro) | DMSO : ~250 mg/mL (~1090.61 mM) |
| Solubility (In Vivo) |
Solubility in Formulation 1: ≥ 2.08 mg/mL (9.07 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 (9.07 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 (9.07 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 | 4.3622 mL | 21.8112 mL | 43.6224 mL | |
| 5 mM | 0.8724 mL | 4.3622 mL | 8.7245 mL | |
| 10 mM | 0.4362 mL | 2.1811 mL | 4.3622 mL |