WARNING: This product is for research use only, not for human or veterinary use.
MedKoo CAT#: 522452
CAS#: 1192189-69-7 (free base)
Description: LX7101 is a pyrrolopyrimidine-based, topically-delivered inhibitor of LIM domain kinase 2 (LIMK2), a kinase associated with the regulation of intraocular pressure. It is also a ROCK inhibitor used for the treatment of glaucoma. LX7101 acts by enhancing fluid outflow through the trabecular meshwork of the eye. Preclinical studies indicate that LX7101 significantly reduced intraocular pressure in both mouse and monkey models. The latest stage of development for LX7101 was a randomized, double-blind, placebo-controlled Phase 1/2a trial for patients with open angle glaucoma or ocular hypertension.
MedKoo Cat#: 522452
Name: LX7101 free base
CAS#: 1192189-69-7 (free base)
Chemical Formula: C23H29N7O3
Exact Mass: 451.2332
Molecular Weight: 451.531
Elemental Analysis: C, 61.18; H, 6.47; N, 21.71; O, 10.63
Related CAS #: 1192189-69-7 (free base) 2319882-48-7 (HCl) 1192189-70-0 (acetate) 1374644-79-7 (besylate)
Synonym: LX7101; LX 7101; LX-7101.
IUPAC/Chemical Name: 3-(4-(aminomethyl)-1-(5-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidine-4-carboxamido)phenyl dimethylcarbamate
InChi Key: PWPNYABQEOGNNC-UHFFFAOYSA-N
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)
SMILES Code: O=C(OC1=CC=CC(NC(C2(CN)CCN(C3=C4C(NC=C4C)=NC=N3)CC2)=O)=C1)N(C)C
Appearance: Solid powder
Purity: >98% (or refer to the Certificate of Analysis)
Shipping Condition: Shipped under ambient temperature as non-hazardous chemical. This product is stable enough for a few weeks during ordinary shipping and time spent in Customs.
Storage Condition: Dry, dark and at 0 - 4 C for short term (days to weeks) or -20 C for long term (months to years).
Solubility: Soluble in DMSO, not in water
Shelf Life: >2 years if stored properly
Drug Formulation: This drug may be formulated in DMSO
Stock Solution Storage: 0 - 4 C for short term (days to weeks), or -20 C for long term (months).
HS Tariff Code: 2934.99.9001
The following data is based on the product molecular weight 451.531 Batch specific molecular weights may vary from batch to batch due to the degree of hydration, which will affect the solvent volumes required to prepare stock solutions.
| Concentration / Solvent Volume / Mass | 1 mg | 5 mg | 10 mg |
|---|---|---|---|
| 1 mM | 1.15 mL | 5.76 mL | 11.51 mL |
| 5 mM | 0.23 mL | 1.15 mL | 2.3 mL |
| 10 mM | 0.12 mL | 0.58 mL | 1.15 mL |
| 50 mM | 0.02 mL | 0.12 mL | 0.23 mL |
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. doi: 10.1021/ml500367g. eCollection 2015 Jan 8. PubMed PMID: 25589936; PubMed Central PMCID: PMC4291717.
