- VX-11e
- XMD8-92
- FR 180204
- VRT752271
| XMD17-109ERK-5 inhibitor |
Sample solution is provided at 25 µL, 10mM.
Nature.2017 Jan 19;541(7637):417-420.
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- Purity = 99.71%
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- Datasheet
Chemical structure
| Description | XMD17-109 is a novel, specific inhibitor of ERK-5 with an EC50 value of 4.2 μM in HEK293 cells. | |||||
| Targets | ERK-5 | |||||
| IC50 | 4.2±0.69 μM(EC50, in HEK 293 cells) | |||||
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| Cas No. | 1435488-37-1 | SDF | Download SDF |
| Synonyms | XMD17 109 | ||
| Chemical Name | N/A | ||
| Canonical SMILES | CN1CCN(C2CCN(C(C3=CC(OCC)=C(NC4=NC=C5C(N(C6CCCC6)C(C=CC=C7)=C7C(N5C)=O)=N4)C=C3)=O)CC2)CC1 | ||
| Formula | C36H46N8O3 | M.Wt | 638.8 |
| Solubility | ≥31.95 mg/mL in DMSO, ≥86.6 mg/mL in EtOH, <2.48 mg/ml="" in="" h2o=""> | Storage | Store at -20°C |
| Physical Appearance | A solid | Shipping Condition | Evaluation sample solution : ship with blue ice.All other available size:ship with RT , or blue ice upon request |
| General tips | For obtaining a higher solubility , please warm the tube at 37 ℃ and shake it in the ultrasonic bath for a while.Stock solution can be stored below -20℃ for several months. | ||
XMD17-109 is a new inhibitor of ERK5, IC50 value in HeLa cell is 0.09 ± 0.03 μM, and in vitro, Enzymatic IC50 value is 0.162 ± 0.006 μM.
XMD17-109 is capable of inhibiting the ERK5 autophosphorylation in cells.[1]
Through intravenous injection and oral delivery of XMD17-109 in mice, the pharmacokinetic properties of this compound are as bellows: the T1/2 (half time) is 8.2 h, the plasma clearance is 8.64 mL/min/Kg (data of intravenous injection), the AUC (area under the curve) of oral delivery is 15745 h*ng/mL and the oral bioavailability is 90%.
Reference:1. Deng, X., et al., Structural determinants for ERK5 (MAPK7) and leucine rich repeat kinase 2 activities of benzo[e]pyrimido-[5,4-b]diazepine-6(11H)-ones. European Journal of Medicinal Chemistry, 2013. 70: p. 758-767.
