| Identification | Back Directory | [Name]
1-Piperazinecarboxamide, N-[4-chloro-3-(trifluoromethyl)phenyl]-4-[6-[4-(4-methyl-1-piperazinyl)phenyl]thieno[2,3-d]pyrimidin-4-yl]- | [CAS]
2756668-73-0 | [Synonyms]
VEGFR-3-IN-1
1-Piperazinecarboxamide, N-[4-chloro-3-(trifluoromethyl)phenyl]-4-[6-[4-(4-methyl-1-piperazinyl)phenyl]thieno[2,3-d]pyrimidin-4-yl]- | [Molecular Formula]
C29H29ClF3N7OS | [MOL File]
2756668-73-0.mol | [Molecular Weight]
616.1 |
| Chemical Properties | Back Directory | [Boiling point ]
788.8±60.0 °C(Predicted) | [density ]
1.414±0.06 g/cm3(Predicted) | [form ]
Solid | [pka]
12.52±0.70(Predicted) | [color ]
Off-white to yellow |
| Hazard Information | Back Directory | [Uses]
VEGFR-3-IN-1 is a potent and selective VEGFR3 inhibitor with an IC50 of 110.4 nM. VEGFR-3-IN-1 significantly inhibits proliferation and migration of VEGF-C-induced human dermal lymphatic endothelial cells (HDLEC), MDA-MB-231, and MDA-MB-436 cells by inactivating the VEGFR3 signaling pathway, and also effectively inhibits breast cancer growth[1]. | [in vivo]
VEGFR-3-IN-1 (50, 25 mg/kg; p.o.) reduces the tumor volume, and displays the strongest inhibitory activity in mice, with a growth inhibition rate of 61.9%[1].
VEGFR-3-IN-1 (10 mg/kg; p.o.) treatment shows the Cmax, AUC0-t , AUC0-∞ and t1/2 values of 420 ng/mL, 9219 ng h/mL, 12304 ng h/mL and 16 hours, respectively[1]. | Animal Model: | Nude mice (carrying xenografted BC)[1] | | Dosage: | 50 mg/kg | | Administration: | P.o.;once | | Result: | Reduced the tumor volume, and displayed the strongest inhibitory activity in mice. |
| Animal Model: | Sprague-Dawley (SD) rats [1] | | Dosage: | 10 mg/kg | | Administration: | P.o. (Pharmacokinetic Analysis) | | Result: | The Cmax, AUC0-t , AUC0-∞ and t1/2 were 420 ng/mL, 9219 ng h/mL, 12304 ng h/mL and 16 hours, respectively.
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| [IC 50]
VEGFR3: 110.4 nM (IC50) | [References]
[1] Li Y, Yang G, et al. Discovery, Synthesis, and Evaluation of Highly Selective Vascular Endothelial Growth Factor Receptor 3 (VEGFR3) Inhibitor for the Potential Treatment of Metastatic Triple-Negative Breast Cancer. J Med Chem. 2021;64(16):12022-12048. DOI:10.1021/acs.jmedchem.1c00678 |
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