 Chemical Structure.png)
Physicochemical Properties
| Molecular Formula | C17H14F2N2 |
| Molecular Weight | 284.30 |
| Exact Mass | 284.112 |
| CAS # | 1394285-50-7 |
| Related CAS # | Golgicide A;1139889-93-2;Golgicide A-1;1394285-49-4;(Rac)-Golgicide A;1005036-73-6 |
| PubChem CID | 7070720 |
| Appearance | White to light brown solid powder |
| LogP | 3.5 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 4 |
| Rotatable Bond Count | 1 |
| Heavy Atom Count | 21 |
| Complexity | 414 |
| Defined Atom Stereocenter Count | 3 |
| SMILES | C1=CC=NC=C1[C@@H]1NC2=C(F)C=C(F)C=C2[C@@]2(C=CC[C@]12[H])[H] |
| InChi Key | NJZHEQOUHLZCOX-WWGRRREGSA-N |
| InChi Code | InChI=1S/C17H14F2N2/c18-11-7-14-12-4-1-5-13(12)16(10-3-2-6-20-9-10)21-17(14)15(19)8-11/h1-4,6-9,12-13,16,21H,5H2/t12-,13+,16+/m1/s1 |
| Chemical Name | (3aS,4R,9bR)-6,8-difluoro-4-pyridin-3-yl-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline |
| 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 | GCA-2 effectively eliminates both Ae. An and Egypt. Ae is the target of Stephensi larvae's unique and highly selective cytotoxicity. Stephensi larvae that have an 83.4% mortality rate[1]. |
| References |
[1]. Distinct biological effects of golgicide a derivatives on larval and adult mosquitoes. Bioorg Med Chem Lett. |
| Additional Infomation | (3aS,4R,9bR)-golgicide A is a 6,8-difluoro-4-(pyridin-3-yl)-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline that has 3aS,4R,9bR configuration. It is the most active stereoisomer of golgicide A. It has a role as a cis-Golgi ArfGEF GBF inhibitor. It is an enantiomer of a (3aR,4S,9bS)-golgicide A. |
Solubility Data
| Solubility (In Vitro) | DMSO : 100 mg/mL (351.74 mM) |
| Solubility (In Vivo) |
Solubility in Formulation 1: 5 mg/mL (17.59 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 50.0 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: 5 mg/mL (17.59 mM) 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; with ultrasonication. For example, if 1 mL of working solution is to be prepared, you can add 100 μL of 50.0 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. Solubility in Formulation 3: 5 mg/mL (17.59 mM) in 10% DMSO + 90% Corn Oil (add these co-solvents sequentially from left to right, and one by one), clear solution; with ultrasonication. For example, if 1 mL of working solution is to be prepared, you can add 100 μL of 50.0 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 | 3.5174 mL | 17.5871 mL | 35.1741 mL | |
| 5 mM | 0.7035 mL | 3.5174 mL | 7.0348 mL | |
| 10 mM | 0.3517 mL | 1.7587 mL | 3.5174 mL |