Physicochemical Properties
| Molecular Formula | C23H23CLN2O3 |
| Molecular Weight | 410.898 |
| Exact Mass | 410.14 |
| CAS # | 1393814-38-4 |
| PubChem CID | 66552906 |
| Appearance | Light yellow to yellow solid powder |
| LogP | 5.947 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 4 |
| Rotatable Bond Count | 5 |
| Heavy Atom Count | 29 |
| Complexity | 556 |
| Defined Atom Stereocenter Count | 0 |
| InChi Key | BNALUYKEGYUHQC-UHFFFAOYSA-N |
| InChi Code | InChI=1S/C23H23ClN2O3/c1-29-18-9-5-8-17(13-18)26-22(14-21(25-26)23(27)28)16-10-11-19(20(24)12-16)15-6-3-2-4-7-15/h5,8-15H,2-4,6-7H2,1H3,(H,27,28) |
| Chemical Name | 5-(3-chloro-4-cyclohexylphenyl)-1-(3-methoxyphenyl)pyrazole-3-carboxylic acid |
| Synonyms | LPA5IN4, TC-LPA5-4; LPA5-IN4; LPA5-IN-4 |
| 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 Note: This product requires protection from light (avoid light exposure) during transportation and storage. |
| 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 | The proliferation of pancreatic islets CGTH-W3, TPC-1, B-CAPAP, and BHT101 was strongly suppressed by TC LPA5 4; the IC50 values were 103.0 μM, 84.9 μM, 55.9 μM, and 57.17 μM, respectively. TC LPA5 4 (5 μM; 24 hours) dramatically reduced LPA-stimulated TPC-1 and CGTH-W3 cell migration by approximately 30%. Higher levels of LPAR5 mRNA were expressed by B-CPAP and BHT101 cells. TC LPA5 4 reduces the proliferation of both cell lines with an IC50 of 55.9. Lower levels of LPAR5 mRNA are expressed by CGTH-W3 and TPC-1 cells. The anti-tumor effects of TC LPA5 4 are distinct, with IC50 values of 103.0 μM and 84.9 μM [2]. |
| ln Vivo | For two weeks, TC LPA5 4 (10 mg/kg; i.p.; five days/week) inhibits the growth of CGTH-W3 xenografts in nude mice [2]. |
| Animal Protocol |
Animal/Disease Models: BALB/C nu/nu (nude) mice, 4 years and 5 weeks (CGTH-W3 xenograft) [2] Doses: 10 mg/kg Route of Administration: intraperitoneal (ip) injection; 5 days per week for 2 weeks Experimental Results: Dramatically inhibited the growth of CGTH-W3 xenografts, with an inhibition rate of 46.7%. |
| References |
[1]. Selective non-lipid modulator of LPA5 activity in human platelets. Bioorg Med Chem Lett. 2012;22(16):5239-5243. [2]. LPAR5 promotes thyroid carcinoma cell proliferation and migration by activating class IA PI3K catalytic subunit p110β. Cancer Sci. 2021;112(4):1624-1632. |
Solubility Data
| Solubility (In Vitro) | DMSO : ~62.5 mg/mL (~152.11 mM) |
| Solubility (In Vivo) |
Solubility in Formulation 1: ≥ 2.08 mg/mL (5.06 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 20.8 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 2: ≥ 2.08 mg/mL (5.06 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 | 2.4337 mL | 12.1684 mL | 24.3368 mL | |
| 5 mM | 0.4867 mL | 2.4337 mL | 4.8674 mL | |
| 10 mM | 0.2434 mL | 1.2168 mL | 2.4337 mL |