Physicochemical Properties
| Molecular Formula | C26H24CLNO3 |
| Molecular Weight | 433.926666259766 |
| Exact Mass | 433.144 |
| CAS # | 2244035-16-1 |
| PubChem CID | 139035046 |
| Appearance | Typically exists as solid at room temperature |
| LogP | 6.5 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 4 |
| Rotatable Bond Count | 7 |
| Heavy Atom Count | 31 |
| Complexity | 676 |
| Defined Atom Stereocenter Count | 0 |
| SMILES | CC(C1=C(C=CC=C1Cl)C2CC2)OC3=CC4=C(C(=CN=C4C=C3)/C=C/C(=O)O)C5CC5 |
| InChi Key | HOMQCLNBKVHZGD-FMIVXFBMSA-N |
| InChi Code | InChI=1S/C26H24ClNO3/c1-15(25-20(16-5-6-16)3-2-4-22(25)27)31-19-10-11-23-21(13-19)26(17-7-8-17)18(14-28-23)9-12-24(29)30/h2-4,9-17H,5-8H2,1H3,(H,29,30)/b12-9+ |
| Chemical Name | (E)-3-[6-[1-(2-chloro-6-cyclopropylphenyl)ethoxy]-4-cyclopropylquinolin-3-yl]prop-2-enoic acid |
| 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 | G907 (0.1 nM-100 μM) completely suppresses Escherichia coli MsbA activity, with an IC50 value of 18 nM[1]. G907 has MsbA-blocking allosteric inhibition action [1]. WT pontics biotin-PE transport activity [2]. |
| References |
[1]. Ho H, et al. Structural basis for dual-mode inhibition of the ABC transporter MsbA. Nature. 2018 May;557(7704):196-201. [2]. Guo D, et al. Energetics of lipid transport by the ABC transporter MsbA is lipid dependent. Commun Biol. 2021 Dec 9;4(1):1379. |
Solubility Data
| Solubility (In Vitro) | DMSO : ~83.33 mg/mL (~192.04 mM) |
| Solubility (In Vivo) |
Solubility in Formulation 1: ≥ 2.08 mg/mL (4.79 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 | 2.3045 mL | 11.5226 mL | 23.0452 mL | |
| 5 mM | 0.4609 mL | 2.3045 mL | 4.6090 mL | |
| 10 mM | 0.2305 mL | 1.1523 mL | 2.3045 mL |