Physicochemical Properties
| Molecular Formula | C25H21CLN6O3 |
| Molecular Weight | 488.9256 |
| Exact Mass | 488.136 |
| CAS # | 2591344-30-6 |
| Related CAS # | JH-X-119-01;2227368-54-7 |
| PubChem CID | 131704491 |
| Appearance | Light yellow to yellow solid powder |
| Hydrogen Bond Donor Count | 5 |
| Hydrogen Bond Acceptor Count | 5 |
| Rotatable Bond Count | 7 |
| Heavy Atom Count | 35 |
| Complexity | 738 |
| Defined Atom Stereocenter Count | 0 |
| SMILES | Cl[H].O=C(C1C([H])=C([H])C([H])=C(C=1[H])N([H])C(C([H])=C([H])[H])=O)N([H])C1C([H])=C([H])C(=C([H])C=1[H])N([H])C(C1=C([H])C([H])=C([H])C(C2=C([H])C([H])=NN2[H])=N1)=O |
| InChi Key | BUFHXMGSECIZAM-UHFFFAOYSA-N |
| InChi Code | InChI=1S/C25H20N6O3.ClH/c1-2-23(32)27-19-6-3-5-16(15-19)24(33)28-17-9-11-18(12-10-17)29-25(34)22-8-4-7-20(30-22)21-13-14-26-31-21;/h2-15H,1H2,(H,26,31)(H,27,32)(H,28,33)(H,29,34);1H |
| Chemical Name | N-[4-[[3-(prop-2-enoylamino)benzoyl]amino]phenyl]-6-(1H-pyrazol-5-yl)pyridine-2-carboxamide;hydrochloride |
| 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, avoid exposure to moisture. |
| 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 | IRAK1 |
| ln Vitro | When Jh-X-119-01 (10 μM) is added to LPS-treated macrophages in vitro, it reduces the phosphorylation of NF-κB and the levels of mRNA for IL-6 and TNFα. IRAK1 phosphorylation is specifically inhibited by Jh-X-119-01[1]. |
| ln Vivo | LPS-challenged mice who receive Jh-X-119-01 have increased survival and decreased immunopathies. Mice's survival is increased by Jh-X-119-01 at a dose of 5 mg/kg body weight. Raising the dosage to 10 mg/kg considerably improves survival[1]. |
| Cell Assay |
Western Blot Analysis[1] Cell Types: RAW 264.7 cells and THP-1 cells Tested Concentrations: 10 μM Incubation Duration: 15 minutes Experimental Results: diminished LPS (100 ng/mL)-induced phosphorylation of IκBα and NF-κB-P65. |
| Animal Protocol |
Animal/Disease Models: C57BL/6 (20-22 g, male) mice[1] Doses: 5 mg/kg and 10 mg/kg Route of Administration: intraperitoneally (ip) injected; 5 days Experimental Results: Protected mice from LPS (20 mg/kg)-induced sepsis. Survival at day 5 was 13.3% in control group where septic mice were treated by vehicle, while the values were 37.5% and 56.3% for 5 mg/kg and 10 mg/kg. |
| References |
[1]. Selective inhibition of interleukin-1 receptor-associated kinase 1 ameliorates lipopolysaccharide-induced sepsis in mice. Int Immunopharmacol. 2020 Aug;85:106597. |
Solubility Data
| Solubility (In Vitro) |
DMSO: 50 mg/mL (102.26 mM) H2O: < 0.1 mg/mL |
| Solubility (In Vivo) |
Solubility in Formulation 1: 2.5 mg/mL (5.11 mM) in 10% DMSO + 90% (20% SBE-β-CD in 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 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: ≥ 2.5 mg/mL (5.11 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 | 2.0453 mL | 10.2264 mL | 20.4528 mL | |
| 5 mM | 0.4091 mL | 2.0453 mL | 4.0906 mL | |
| 10 mM | 0.2045 mL | 1.0226 mL | 2.0453 mL |