Physicochemical Properties
| Molecular Formula | C16H8N2O2CL4 |
| Molecular Weight | 402.05892 |
| Exact Mass | 399.934 |
| Elemental Analysis | C, 47.80; H, 2.01; Cl, 35.27; N, 6.97; O, 7.96 |
| CAS # | 76150-91-9 |
| Related CAS # | 76150-91-9 |
| PubChem CID | 5382 |
| Appearance | White to off-white solid powder |
| Density | 1.518g/cm3 |
| Boiling Point | 444.8ºC at 760 mmHg |
| Flash Point | 222.8ºC |
| Index of Refraction | 1.635 |
| LogP | 6.674 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 4 |
| Rotatable Bond Count | 4 |
| Heavy Atom Count | 24 |
| Complexity | 362 |
| Defined Atom Stereocenter Count | 0 |
| SMILES | C1=C(C=CC(=C1)OC2=C(C=C(C=N2)Cl)Cl)OC3=C(C=C(C=N3)Cl)Cl |
| InChi Key | BAFKRPOFIYPKBQ-UHFFFAOYSA-N |
| InChi Code | InChI=1S/C16H8Cl4N2O2/c17-9-5-13(19)15(21-7-9)23-11-1-2-12(4-3-11)24-16-14(20)6-10(18)8-22-16/h1-8H |
| Chemical Name | 3,5-dichloro-2-[4-(3,5-dichloropyridin-2-yl)oxyphenoxy]pyridine |
| Synonyms | TCPOBOP |
| 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
| Targets | CAR; Bcl-2 |
| ln Vivo | TCPOBOP(oral; 3 mg/kg; 1–5 days) significantly increases the liver weight to body weight ratio at 48 hours [1]. |
| Animal Protocol |
METfl/fl: Tam-Cre+/+ mice with a targeted deletion for exon 16 with MET KO[1] 3 mg/kg Oral; 1, 2, 5 days |
| References |
[1]. TCPOBOP-Induced Hepatomegaly and Hepatocyte Proliferation are Attenuated by Combined Disruption of MET and EGFR Signaling. Hepatology. 2019 Apr;69(4):1702-1718. [2]. Constitutive androstane receptor (CAR) ligand, TCPOBOP, attenuates Fas-induced murine liver injury by altering Bcl-2 proteins. Hepatology. 2006 Jul;44(1):252-62. |
Solubility Data
| Solubility (In Vitro) | DMSO: 10~25 mg/mL (62.2~24.9 mM) |
| Solubility (In Vivo) |
Solubility in Formulation 1: 2.5 mg/mL (6.22 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 25.0 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: ≥ 2.5 mg/mL (6.22 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 25.0 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 | 2.4872 mL | 12.4360 mL | 24.8719 mL | |
| 5 mM | 0.4974 mL | 2.4872 mL | 4.9744 mL | |
| 10 mM | 0.2487 mL | 1.2436 mL | 2.4872 mL |