| Identification | Back Directory | [Name]
3-Piperidinecarboxamide, 1-[4-[[[(4-chloro-3-fluorophenyl)amino]carbonyl]amino]-3-fluorobenzoyl]-N-[7-(hydroxyamino)-7-oxoheptyl]-, (3S)- | [CAS]
3009011-58-6 | [Synonyms]
3-Piperidinecarboxamide, 1-[4-[[[(4-chloro-3-fluorophenyl)amino]carbonyl]amino]-3-fluorobenzoyl]-N-[7-(hydroxyamino)-7-oxoheptyl]-, (3S)- | [Molecular Formula]
C27H32ClF2N5O5 | [MOL File]
3009011-58-6.mol | [Molecular Weight]
580.02 |
| Hazard Information | Back Directory | [Uses]
sEH/HDAC6-IN-2 is a potent dual soluble epoxide hydrolase (sEH) and HDAC6 inhibitor with IC50s of 0.9 nM, 46.8 nM, and 8 nM for human sEH, mouse sEH, and HDAC6, respectively. sEH/HDAC6-IN-2 can be used for the study of inflammatory pain[1]. | [in vivo]
sEH/HDAC6-IN-2 (compound 28g; 30 mg/kg; ip; once) relieves Formalin-induced inflammatory pain in mice[1].
Pharmacokinetics of sEH/HDAC6-IN-2 in SD rats Following Intravenous and Oral Administration[1].
1.19 | parameter | iv (10 mg/kg) | ig (50 mg/kg) | | Tmax (h) | 0.08 | 0.50 | | Cmax (μM) | 7.87 | 6.63 | | t1/2 (h) | 5.43 | 3.55 | | CL (L/h) | 0.16 | 0.82 | | Vz (L) | 1.28 | 4.20 | | AUC0-12h (μM·h) | 12.29 | 15.01 | | AUC0-∞ (μM·h) | 21.16 | 21.22 | | F (%) | 24.42 | - |
| Animal Model: | Kunming mice (male, weighing 20-22 g) injected with 5% Formalin solution[1]. | | Dosage: | 30 mg/kg | | Administration: | ip; once | | Result: | Exhibited an effective analgesic activity. |
| [IC 50]
HDAC6: 0.008 μM (IC50); Human sEh: 0.0009 μM (IC50); Mouse sEh: 0.0468 μM (IC50); HDAC8: 0.062 μM (IC50); HDAC11: 0.464 μM (IC50); HDAC2: 0.492 μM (IC50); HDAC1: 1.151 μM (IC50); HDAC3: 1.276 μM (IC50) | [References]
[1] Huashen Xu , et al. Design and Synthesis of sEH/HDAC6 Dual-Targeting Inhibitors for the Treatment of Inflammatory Pain. J Med Chem. 2024 Jul 21. DOI:10.1021/acs.jmedchem.4c00847 |
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