LX7101 HCLDual LIM-kinase and ROCK inhibitor CAS# 1192189-69-7 |
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Quality Control & MSDS
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| Cas No. | 1192189-69-7 | SDF | Download SDF |
| PubChem ID | 56962369 | Appearance | Powder |
| Formula | C23H30ClN7O3 | M.Wt | 487.98 |
| Type of Compound | N/A | Storage | Desiccate at -20°C |
| Solubility | DMSO : 150 mg/mL (332.21 mM; Need ultrasonic) | ||
| Chemical Name | [3-[[4-(aminomethyl)-1-(5-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidine-4-carbonyl]amino]phenyl] N,N-dimethylcarbamate | ||
| SMILES | CC1=CNC2=C1C(=NC=N2)N3CCC(CC3)(CN)C(=O)NC4=CC(=CC=C4)OC(=O)N(C)C | ||
| Standard InChIKey | PWPNYABQEOGNNC-UHFFFAOYSA-N | ||
| Standard InChI | InChI=1S/C23H29N7O3/c1-15-12-25-19-18(15)20(27-14-26-19)30-9-7-23(13-24,8-10-30)21(31)28-16-5-4-6-17(11-16)33-22(32)29(2)3/h4-6,11-12,14H,7-10,13,24H2,1-3H3,(H,28,31)(H,25,26,27) | ||
| 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. We recommend that you prepare and use the solution on the same day. However, if the test schedule requires, the stock solutions can be prepared in advance, and the stock solution must be sealed and stored below -20℃. In general, the stock solution can be kept for several months. Before use, we recommend that you leave the vial at room temperature for at least an hour before opening it. |
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| About Packaging | 1. The packaging of the product may be reversed during transportation, cause the high purity compounds to adhere to the neck or cap of the vial.Take the vail out of its packaging and shake gently until the compounds fall to the bottom of the vial. 2. For liquid products, please centrifuge at 500xg to gather the liquid to the bottom of the vial. 3. Try to avoid loss or contamination during the experiment. |
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| Shipping Condition | Packaging according to customer requirements(5mg, 10mg, 20mg and more). Ship via FedEx, DHL, UPS, EMS or other couriers with RT, or blue ice upon request. | ||
| Description | LX7101 is a potent inhibitor of LIMK and ROCK2 with IC50 values of 24, 1.6 and 10 nM for LIMK1, LIMK2 and ROCK2, respectively; also inhibits PKA with an IC50 less than 1 nM.In Vitro:LX7101 is a dual LIM-kinase and ROCK inhibitor for the treatment of ocular hypertension and associated glaucoma. LX-7101 also displays potent inhibition of Akt1 with an IC50 of less than 1 nM[1]. The overall selectivity of LX7101 for LIMK2 increases at the higher physiological ATP concentrations. Under physiological conditions, the activity of LX7101 is primarily due to inhibition of LIMK2[2].In Vivo:LX-7101 is advanced to Phase-I clinical trials as an intraocular pressure (IOP)-lowering agent for treatment of glaucoma. LX-7101 displays a significant IOP reduction at time points ranging from 1 h to 6 h post administration in rabbits[1]. Topical doses of LX-7101 are evaluated for tolerability on the eyes of mice, rats, and rabbits. It is well tolerated at doses up to 0.5% in non-GLP single dose studies. In the mouse IOP assay, LX-7101 (5%) achieved additional reduction of IOP (5.0 mmHg total reduction) compared to the 0.1% formulation and demonstrated a long duration of action, with IOP not returning to baseline until more than 8 h postdose[2]. References: | |||||
LX7101 HCL Dilution Calculator
LX7101 HCL Molarity Calculator
| 1 mg | 5 mg | 10 mg | 20 mg | 25 mg | |
| 1 mM | 2.0493 mL | 10.2463 mL | 20.4926 mL | 40.9853 mL | 51.2316 mL |
| 5 mM | 0.4099 mL | 2.0493 mL | 4.0985 mL | 8.1971 mL | 10.2463 mL |
| 10 mM | 0.2049 mL | 1.0246 mL | 2.0493 mL | 4.0985 mL | 5.1232 mL |
| 50 mM | 0.041 mL | 0.2049 mL | 0.4099 mL | 0.8197 mL | 1.0246 mL |
| 100 mM | 0.0205 mL | 0.1025 mL | 0.2049 mL | 0.4099 mL | 0.5123 mL |
| * Note: If you are in the process of experiment, it's necessary to make the dilution ratios of the samples. The dilution data above is only for reference. Normally, it's can get a better solubility within lower of Concentrations. | |||||
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Description:
IC50: 4.3, 32, 69 and 32 nM for LIMK2, KIMK1, ROCK1 and ROCK2, respectivley
LIM-kinases 1 and 2 (LIMK1 and LIMK2) regulate cytoskeletal dynamics by phosphorylating and deactivating cofilin, a protein that depolymerizes actin filaments. ROCK, a kinase upstream of LIMK in the signaling cascade that regulates actin filament dynamics, are being investigated in the clinic for reduction of IOP through relaxation of the trabecular meshwork. LX7101 is a dual LIM-kinase and ROCK inhibitor for the treatment of glaucoma.
In vitro: LX7101 proved significantly more selective for LIMK2. In addition, LX7101 was screened against a panel of 403 kinases. Moderate selectivity was observed in this screen (34 assays including LIMK2 and ROCK2 indicated that the Kd is most likely <1 μM) [1].
In vivo: At a well-tolerated dose, LX7101 achieved additional reduction of IOP compared to the 0.1% formulation and demonstrated a long duration of action, with IOP not returning to baseline until more than 8 h postdose. More critically, LX7101 produced a significantly greater reduction of IOP than either timolol or latanoprost [1].
Clinical trial: LX7101 completed IND enabling studies and was tested in a Phase 1 clinical trial in glaucoma patients, where it showed efficacy in lowering intraocular pressure [1].
Reference:
[1] Harrison BA, Almstead ZY, Burgoon H, Gardyan M, Goodwin NC, Healy J, Liu Y, Mabon R, Marinelli B, Samala L, Zhang Y, Stouch TR, Whitlock NA, Gopinathan S, McKnight B, Wang S, Patel N, Wilson AG, Hamman BD, Rice DS, Rawlins DB. Discovery and Development of LX7101, a Dual LIM-Kinase and ROCK Inhibitor for the Treatment of Glaucoma. ACS Med Chem Lett. 2014 Nov 24;6(1):84-8.
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