| Size | Price | Stock | Qty |
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| 5mg |
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| 10mg |
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| 25mg |
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| 50mg |
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LX7101 (LX-7101; LX 7101) is a novel, potent, pyrrolopyrimidine-based, and topically-usd inhibitor of LIM domain kinase 2 (LIMK2), which is a kinase associated with the regulation of intraocular pressure. It's also a ROCK inhibitor that can be applied to glaucoma patients.
| Targets |
ROCK2 (IC50 = 10 nM); LIMK2 (IC50 = 1.6 nM); LIMK1 (IC50 = 24 nM); PKA (IC50 = 1 nM)
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|---|---|
| ln Vitro |
LX7101 is a dual inhibitor of ROCK and LIM-kinase used to treat glaucoma and associated ocular hypertension. Additionally, LX-7101 exhibits strong Akt1 inhibition, as evidenced by an IC50 of less than 1 nM[1]. At higher physiological ATP concentrations, LX7101's overall selectivity for LIMK2 increases. LX7101's activity under physiological conditions is mostly brought on by LIMK2 inhibition[2].
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| ln Vivo |
LX-7101 is a glaucoma treatment drug that has advanced to Phase-I clinical trials. It lowers intraocular pressure (IOP). After administration, LX-7101 significantly lowers intracranial pressure in rabbits between one and six hours[1]. The tolerability of LX-7101 topical doses on mice, rats, and rabbits' eyes is assessed. In non-GLP single dose trials, it is well tolerated at doses up to 0.5%. LX-7101 (5%) showed a long duration of action, with IOP not returning to baseline until more than 8 h postdose[2]. In the mouse IOP assay, it achieved additional reduction of IOP (5.0 mmHg total reduction) compared to the 0.1% formulation.
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| References |
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| Additional Infomation |
LX-7101 is under investigation in clinical trial NCT01528111 (Study to Evaluate the Safety, Tolerability, and Efficacy of LX7101 in Subjects With Primary Open-angle Glaucoma or Ocular Hypertension).
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| Molecular Formula |
C23H30CLN7O3
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|---|---|
| Molecular Weight |
487.99
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| Exact Mass |
451.233
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| Elemental Analysis |
C, 61.18; H, 6.47; N, 21.71; O, 10.63
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| CAS # |
1192189-69-7
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| Related CAS # |
1192189-69-7;2319882-48-7 (HCl);1192189-70-0 (acetate);1374644-79-7 (besylate);
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| PubChem CID |
56962369
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| Appearance |
White to off-white solid powder
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| LogP |
3.349
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| Hydrogen Bond Donor Count |
3
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| Hydrogen Bond Acceptor Count |
7
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| Rotatable Bond Count |
6
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| Heavy Atom Count |
33
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| Complexity |
698
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| Defined Atom Stereocenter Count |
0
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| SMILES |
O=C(C1(C([H])([H])N([H])[H])C([H])([H])C([H])([H])N(C2C3C(C([H])([H])[H])=C([H])N([H])C=3N=C([H])N=2)C([H])([H])C1([H])[H])N([H])C1C([H])=C([H])C([H])=C(C=1[H])OC(N(C([H])([H])[H])C([H])([H])[H])=O
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| InChi Key |
PWPNYABQEOGNNC-UHFFFAOYSA-N
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| InChi Code |
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)
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| Chemical Name |
[3-[[4-(aminomethyl)-1-(5-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidine-4-carbonyl]amino]phenyl] N,N-dimethylcarbamate
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| Synonyms |
LX-7101; LX 7101; LX7101
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| HS Tariff Code |
2934.99.9001
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| Storage |
Powder -20°C 3 years 4°C 2 years In solvent -80°C 6 months -20°C 1 month |
| Shipping Condition |
Room temperature (This product is stable at ambient temperature for a few days during ordinary shipping and time spent in Customs)
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| Solubility (In Vitro) |
DMSO: ~150 mg/mL (~332.2 mM)
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|---|---|
| Solubility (In Vivo) |
Solubility in Formulation 1: ≥ 7.5 mg/mL (16.61 mM) (saturation unknown) in 10% DMSO + 40% PEG300 + 5% Tween80 + 45% Saline (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 75.0 mg/mL clear DMSO stock solution to 400 μL PEG300 and mix evenly; then add 50 μL Tween-80 to the above solution and mix evenly; then add 450 μL normal saline to adjust the volume to 1 mL. Preparation of saline: Dissolve 0.9 g of sodium chloride in 100 mL ddH₂ O to obtain a clear solution. Solubility in Formulation 2: ≥ 7.5 mg/mL (16.61 mM) (saturation unknown) in 10% DMSO + 90% (20% SBE-β-CD in Saline) (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 75.0 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. View More
Solubility in Formulation 3: ≥ 7.5 mg/mL (16.61 mM) (saturation unknown) in 10% DMSO + 90% Corn Oil (add these co-solvents sequentially from left to right, and one by one), clear solution. |
| Preparing Stock Solutions | 1 mg | 5 mg | 10 mg | |
| 1 mM | 2.0492 mL | 10.2461 mL | 20.4922 mL | |
| 5 mM | 0.4098 mL | 2.0492 mL | 4.0984 mL | |
| 10 mM | 0.2049 mL | 1.0246 mL | 2.0492 mL |
*Note: Please select an appropriate solvent for the preparation of stock solution based on your experiment needs. For most products, DMSO can be used for preparing stock solutions (e.g. 5 mM, 10 mM, or 20 mM concentration); some products with high aqueous solubility may be dissolved in water directly. Solubility information is available at the above Solubility Data section. Once the stock solution is prepared, aliquot it to routine usage volumes and store at -20°C or -80°C. Avoid repeated freeze and thaw cycles.
Calculation results
Working concentration： mg/mL；
Method for preparing DMSO stock solution： mg drug pre-dissolved in μL DMSO (stock solution concentration mg/mL). Please contact us first if the concentration exceeds the DMSO solubility of the batch of drug.
Method for preparing in vivo formulation:：Take μL DMSO stock solution, next add μL PEG300, mix and clarify, next addμL Tween 80, mix and clarify, next add μL ddH2O，mix and clarify.
(1) Please be sure that the solution is clear before the addition of next solvent. Dissolution methods like vortex, ultrasound or warming and heat may be used to aid dissolving.
(2) Be sure to add the solvent(s) in order.
| NCT Number | Recruitment | interventions | Conditions | Sponsor/Collaborators | Start Date | Phases |
| NCT01528111 | Completed | Drug: LX7101 (0.125%) Drug: LX7101 (0.25%) |
Primary Open-angle Glaucoma Ocular Hypertension |
Lexicon Pharmaceuticals | March 2012 | Phase 1 Phase 2 |
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