Physicochemical Properties
| Molecular Formula | C13H12FN3O2 |
| Molecular Weight | 261.256 |
| Exact Mass | 261.091 |
| Elemental Analysis | C, 59.77; H, 4.63; F, 7.27; N, 16.08; O, 12.25 |
| CAS # | 852146-73-7 |
| PubChem CID | 11368995 |
| Appearance | White to off-white solid powder |
| Density | 1.38g/cm3 |
| Boiling Point | 444.1ºC at 760 mmHg |
| Flash Point | 222.4ºC |
| Index of Refraction | 1.617 |
| LogP | 3.208 |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 3 |
| Rotatable Bond Count | 2 |
| Heavy Atom Count | 19 |
| Complexity | 371 |
| Defined Atom Stereocenter Count | 0 |
| InChi Key | DTLDHYBZLVASJQ-UHFFFAOYSA-N |
| InChi Code | InChI=1S/C13H12FN3O2/c1-7-2-3-8(14)6-9(7)10-4-5-11(19-10)12(18)17-13(15)16/h2-6H,1H3,(H4,15,16,17,18) |
| Chemical Name | N-(aminoiminomethyl)-5-(5-fluoro-2-methylphenyl)-2-furancarboxamide |
| Synonyms | KR-32568; KR 32568; KR32568; |
| 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 | KR-32568 (10 nM–1 μM) prevents acidification caused by NHE-1.-produced distal floating in concentration-suspended form with an IC50 value of 24 nM in rabbit rich trap cells[1]. |
| ln Vivo | KR-32568 (0.1-1.0 mg/kg; iv; once) exerts effective cardioprotective effects, such as reducing infarct size and significantly reducing the total number of premature ventricular contractions [1]. |
| Animal Protocol |
Animal/Disease Models: Male SD (SD (Sprague-Dawley)) rats (350-380 g) underwent 30 minutes ischemia/2.5 hrs (hrs (hours)) reperfusion cardiac injury [1] Doses: 0.1 mg/kg and 1.0 mg/kg Route of Administration: intravenous (iv) (iv)injection; Experimental Results: Produces effective cardioprotective effects in rats. |
| References |
[1]. Cardioprotective effects of [5-(2-methyl-5-fluorophenyl)furan-2-ylcarbonyl]guanidine (KR-32568) in an anesthetized rat model of ischemia and reperfusion heart injury. Pharmacology. 2005 Dec;75(1):37-44. [2]. (5-Arylfuran-2-ylcarbonyl)guanidines as cardioprotectives through the inhibition of Na+/H+ exchanger isoform-1. J Med Chem. 2005 Apr 21;48(8):2882-91. |
Solubility Data
| Solubility (In Vitro) | DMSO : ~100 mg/mL (~382.78 mM) |
| Solubility (In Vivo) |
Solubility in Formulation 1: ≥ 2.5 mg/mL (9.57 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 (9.57 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. (Please use freshly prepared in vivo formulations for optimal results.) |
| Preparing Stock Solutions | 1 mg | 5 mg | 10 mg | |
| 1 mM | 3.8276 mL | 19.1380 mL | 38.2760 mL | |
| 5 mM | 0.7655 mL | 3.8276 mL | 7.6552 mL | |
| 10 mM | 0.3828 mL | 1.9138 mL | 3.8276 mL |