Physicochemical Properties
| Molecular Formula | C27H27F9N2O3 |
| Molecular Weight | 598.5005 |
| Exact Mass | 598.187 |
| CAS # | 261947-38-0 |
| PubChem CID | 10145345 |
| Appearance | White to off-white solid powder |
| LogP | 7.1 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 12 |
| Rotatable Bond Count | 6 |
| Heavy Atom Count | 41 |
| Complexity | 899 |
| Defined Atom Stereocenter Count | 2 |
| SMILES | FC(C1C([H])=C([H])C2=C(C=1[H])[C@]([H])(C([H])([H])[C@@]([H])(C([H])([H])C([H])([H])[H])N2C(=O)OC([H])(C([H])([H])[H])C([H])([H])[H])N(C(C([H])([H])[H])=O)C([H])([H])C1C([H])=C(C(F)(F)F)C([H])=C(C(F)(F)F)C=1[H])(F)F |
| InChi Key | TUPKOWFPVAXQFP-OFNKIYASSA-N |
| InChi Code | InChI=1S/C27H27F9N2O3/c1-5-20-12-23(21-11-17(25(28,29)30)6-7-22(21)38(20)24(40)41-14(2)3)37(15(4)39)13-16-8-18(26(31,32)33)10-19(9-16)27(34,35)36/h6-11,14,20,23H,5,12-13H2,1-4H3/t20-,23+/m1/s1 |
| Chemical Name | propan-2-yl (2R,4S)-4-[acetyl-[[3,5-bis(trifluoromethyl)phenyl]methyl]amino]-2-ethyl-6-(trifluoromethyl)-3,4-dihydro-2H-quinoline-1-carboxylate |
| Synonyms | CP532623; CP 532623; CP-532623 |
| 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 | CP-532623 displays a high degree of lymphatic transport (28% of dose), with lymphatic transport closely connected to drug affinity in isolated lymphoid lipoprotein or triglyceride emulsions and less related to solubility in the lipoprotein core and/or surface lipid mixture. CP-532623 affects lymphoid lipid transport kinetics and lowers lymphoid lipid transport in chylomicrons [2]. |
| ln Vivo | CP-532623 (50 mg; oral; adult male greyhound) therapy is extensively carried to the lymphatic system (>25% of dose) in fed and fasting dogs. Food enhanced oral bioavailability (from 44% to 58%, respectively) and the proportion of dosage absorbed by lymphatic transport (from 61% to 86% and 68% to 83%, respectively). Lymphatic triglyceride transfer was dramatically reduced in fed dogs taking CP-532623 [3]. |
| Animal Protocol |
Animal/Disease Models: Adult male greyhound (27-39 kg) [3] Doses: 50 mg Route of Administration: Oral administration of long-chain lipid preparation to feeding lymphatic vessels Experimental Results: Large amounts transported to the lymphatic system during feeding ( >25% dose) and fasted dogs. Food enhances oral bioavailability and the proportion of absorbed dose via lymphatic transport. |
| References |
[1]. Effects of CP-532,623 and torcetrapib, cholesteryl ester transfer protein inhibitors, on arterial blood pressure. J Cardiovasc Pharmacol. 2009 Jun;53(6):507-16. [2]. The mechanism of lymphatic access of two cholesteryl ester transfer protein inhibitors (CP524,515 and CP532,623) and evaluation of their impact on lymph lipoprotein profiles. Pharm Res. 2010 Sep;27(9):1949-64. [3]. The role of the intestinal lymphatics in the absorption of two highly lipophilic cholesterol ester transfer protein inhibitors (CP524,515 and CP532,623). Pharm Res. 2010 May;27(5):878-93. |
Solubility Data
| Solubility (In Vitro) | May dissolve in DMSO (in most cases), if not, try other solvents such as H2O, Ethanol, or DMF with a minute amount of products to avoid loss of samples |
| Solubility (In Vivo) |
Note: Listed below are some common formulations that may be used to formulate products with low water solubility (e.g. < 1 mg/mL), you may test these formulations using a minute amount of products to avoid loss of samples. Injection Formulations (e.g. IP/IV/IM/SC) Injection Formulation 1: DMSO : Tween 80： Saline = 10 : 5 : 85 (i.e. 100 μL DMSO stock solution → 50 μL Tween 80 → 850 μL Saline) *Preparation of saline: Dissolve 0.9 g of sodium chloride in 100 mL ddH ₂ O to obtain a clear solution. Injection Formulation 2: DMSO : PEG300 ：Tween 80 : Saline = 10 : 40 : 5 : 45 (i.e. 100 μL DMSO → 400 μLPEG300 → 50 μL Tween 80 → 450 μL Saline) Injection Formulation 3: DMSO : Corn oil = 10 : 90 (i.e. 100 μL DMSO → 900 μL Corn oil) Example: Take the Injection Formulation 3 (DMSO : Corn oil = 10 : 90) as an example, if 1 mL of 2.5 mg/mL working solution is to be prepared, you can take 100 μL 25 mg/mL DMSO stock solution and add to 900 μL corn oil, mix well to obtain a clear or suspension solution (2.5 mg/mL, ready for use in animals). Injection Formulation 4: DMSO : 20% SBE-β-CD in saline = 10 : 90 [i.e. 100 μL DMSO → 900 μL (20% SBE-β-CD in saline)] *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. Injection Formulation 5: 2-Hydroxypropyl-β-cyclodextrin : Saline = 50 : 50 (i.e. 500 μL 2-Hydroxypropyl-β-cyclodextrin → 500 μL Saline) Injection Formulation 6: DMSO : PEG300 : castor oil : Saline = 5 : 10 : 20 : 65 (i.e. 50 μL DMSO → 100 μLPEG300 → 200 μL castor oil → 650 μL Saline) Injection Formulation 7: Ethanol : Cremophor : Saline = 10： 10 : 80 (i.e. 100 μL Ethanol → 100 μL Cremophor → 800 μL Saline) Injection Formulation 8: Dissolve in Cremophor/Ethanol (50 : 50), then diluted by Saline Injection Formulation 9: EtOH : Corn oil = 10 : 90 (i.e. 100 μL EtOH → 900 μL Corn oil) Injection Formulation 10: EtOH : PEG300：Tween 80 : Saline = 10 : 40 : 5 : 45 (i.e. 100 μL EtOH → 400 μLPEG300 → 50 μL Tween 80 → 450 μL Saline) Oral Formulations Oral Formulation 1: Suspend in 0.5% CMC Na (carboxymethylcellulose sodium) Oral Formulation 2: Suspend in 0.5% Carboxymethyl cellulose Example: Take the Oral Formulation 1 (Suspend in 0.5% CMC Na) as an example, if 100 mL of 2.5 mg/mL working solution is to be prepared, you can first prepare 0.5% CMC Na solution by measuring 0.5 g CMC Na and dissolve it in 100 mL ddH2O to obtain a clear solution; then add 250 mg of the product to 100 mL 0.5% CMC Na solution, to make the suspension solution (2.5 mg/mL, ready for use in animals). Oral Formulation 3: Dissolved in PEG400 Oral Formulation 4: Suspend in 0.2% Carboxymethyl cellulose Oral Formulation 5: Dissolve in 0.25% Tween 80 and 0.5% Carboxymethyl cellulose Oral Formulation 6: Mixing with food powders Note: Please be aware that the above formulations are for reference only. InvivoChem strongly recommends customers to read literature methods/protocols carefully before determining which formulation you should use for in vivo studies, as different compounds have different solubility properties and have to be formulated differently. (Please use freshly prepared in vivo formulations for optimal results.) |
| Preparing Stock Solutions | 1 mg | 5 mg | 10 mg | |
| 1 mM | 1.6708 mL | 8.3542 mL | 16.7084 mL | |
| 5 mM | 0.3342 mL | 1.6708 mL | 3.3417 mL | |
| 10 mM | 0.1671 mL | 0.8354 mL | 1.6708 mL |