Physicochemical Properties
Molecular Formula | C20H12CLIN4O |
Molecular Weight | 486.69 |
Exact Mass | 485.974 |
CAS # | 2226517-75-3 |
PubChem CID | 136213044 |
Appearance | White to off-white solid powder |
Density | 1.9±0.1 g/cm3 |
Boiling Point | 551.3±50.0 °C at 760 mmHg |
Flash Point | 287.2±30.1 °C |
Vapour Pressure | 0.0±1.5 mmHg at 25°C |
Index of Refraction | 1.821 |
LogP | 5.45 |
Hydrogen Bond Donor Count | 1 |
Hydrogen Bond Acceptor Count | 3 |
Rotatable Bond Count | 2 |
Heavy Atom Count | 27 |
Complexity | 668 |
Defined Atom Stereocenter Count | 0 |
InChi Key | VABPBCMFKJDOHP-UHFFFAOYSA-N |
InChi Code | InChI=1S/C20H12ClIN4O/c21-12-3-1-11(2-4-12)20(7-8-20)17-15(10-23)18-24-19(27)14-9-13(22)5-6-16(14)26(18)25-17/h1-6,9H,7-8H2,(H,24,27) |
Chemical Name | 2-[1-(4-chlorophenyl)cyclopropyl]-7-iodo-5-oxo-4H-pyrazolo[1,5-a]quinazoline-3-carbonitrile |
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 | In MA-104 cells infected with the RVA-NMTL virus, dynapyrazole A (1–3 μg/mL, 14 h) can lower virus titers in a dose-dependent manner; its EC 50 value is 0.73 μg/mL[1]. |
References |
[1]. Rotavirus Viroplasm Biogenesis Involves Microtubule-Based Dynein Transport Mediated by an Interaction between NSP2 and Dynein Intermediate Chain. J Virol. 2021 Oct 13;95(21):e0124621. |
Solubility Data
Solubility (In Vitro) | DMSO : 25 mg/mL (51.37 mM) |
Solubility (In Vivo) |
Solubility in Formulation 1: ≥ 2.5 mg/mL (5.14 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 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 (5.14 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 | 2.0547 mL | 10.2735 mL | 20.5470 mL | |
5 mM | 0.4109 mL | 2.0547 mL | 4.1094 mL | |
10 mM | 0.2055 mL | 1.0273 mL | 2.0547 mL |