Physicochemical Properties
| Molecular Formula | C17H14F2N2 |
| Molecular Weight | 284.30 |
| Exact Mass | 284.112 |
| CAS # | 1394285-49-4 |
| Related CAS # | Golgicide A;1139889-93-2;Golgicide A-2;1394285-50-7;(Rac)-Golgicide A;1005036-73-6 |
| PubChem CID | 1085377 |
| Appearance | White to light yellow 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 | C1C=C[C@H]2[C@@H]1[C@H](NC3=C2C=C(C=C3F)F)C4=CN=CC=C4 |
| InChi Key | NJZHEQOUHLZCOX-WOSRLPQWSA-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+/m0/s1 |
| Chemical Name | (3aR,4S,9bS)-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 | In the Aedes aegypti and Anopheles stephensi larvae experiment, glyphicide A-1 (GCA-1) exhibits negligible to no cytotoxicity[1]. |
| References | [1]. Daniel J Mack, et al. Distinct biological effects of golgicide a derivatives on larval and adult mosquitoes. Bioorg Med Chem Lett. 2012 Aug 15;22(16):5177-81. |
| Additional Infomation | (3aR,4S,9bS)-golgicide A is a 6,8-difluoro-4-(pyridin-3-yl)-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline that has 3aR,4S,9bS configuration. It is an enantiomer of a (3aS,4R,9bR)-golgicide A. |
Solubility Data
| Solubility (In Vitro) | DMSO: 110 mg/mL (386.92 mM) |
| Solubility (In Vivo) |
Solubility in Formulation 1: 5.5 mg/mL (19.35 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 55.0 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: ≥ 5.5 mg/mL (19.35 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 55.0 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 |