Canocapavir (ZM-H1505R) is a HBV capsid inhibitor that is orally active and has antiviral activity.May be used in the treatment of Chronic hepatitis B.
Physicochemical Properties
| Molecular Formula | C27H21BRFN5O3 |
| Molecular Weight | 562.389748334885 |
| Exact Mass | 561.081 |
| CAS # | 2137847-19-7 |
| Related CAS # | (S)-Canocapavir;2137847-77-7 |
| PubChem CID | 137477479 |
| Appearance | White to off-white solid powder |
| LogP | 4 |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 5 |
| Rotatable Bond Count | 6 |
| Heavy Atom Count | 37 |
| Complexity | 837 |
| Defined Atom Stereocenter Count | 1 |
| SMILES | C1(=O)NC2=CC=C(CCN3C(=O)CO[C@@H]3C3=CN(C4=CC=C(Br)C=C4)N=C3C3=CC=C(F)C=C3)C=C2N1 |
| InChi Key | YGPZZDKSASSELG-AREMUKBSSA-N |
| InChi Code | InChI=1S/C27H21BrFN5O3/c28-18-4-8-20(9-5-18)34-14-21(25(32-34)17-2-6-19(29)7-3-17)26-33(24(35)15-37-26)12-11-16-1-10-22-23(13-16)31-27(36)30-22/h1-10,13-14,26H,11-12,15H2,(H2,30,31,36)/t26-/m1/s1 |
| Chemical Name | (2R)-2-[1-(4-bromophenyl)-3-(4-fluorophenyl)pyrazol-4-yl]-3-[2-(2-oxo-1,3-dihydrobenzimidazol-5-yl)ethyl]-1,3-oxazolidin-4-one |
| 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: Please store this product in a sealed and protected environment (e.g. under nitrogen), avoid exposure to moisture and light. |
| 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
| References | New strategies for the treatment of chronic hepatitis B. Trends Mol Med. 2022 Sep;28(9):742-757. |
Solubility Data
| Solubility (In Vitro) | DMSO : ~300 mg/mL (~533.44 mM) |
| Solubility (In Vivo) |
Solubility in Formulation 1: ≥ 7.5 mg/mL (13.34 mM) (saturation unknown) in 10% DMSO + 40% PEG300 + 5% Tween80 + 45% 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 75.0 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: ≥ 7.5 mg/mL (13.34 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 75.0 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 | 1.7781 mL | 8.8906 mL | 17.7813 mL | |
| 5 mM | 0.3556 mL | 1.7781 mL | 3.5563 mL | |
| 10 mM | 0.1778 mL | 0.8891 mL | 1.7781 mL |