LX7101 free base
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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.


Chemical Structure

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LX7101 free base
CAS# 1192189-69-7 (free base)

Theoretical Analysis

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

Size Price Shipping out time Quantity
10mg USD 550 2 Weeks
Inquire bulk and customized quantity

Pricing updated 2021-02-27. Prices are subject to change without notice.

LX7101, purity > 98%, is in stock. Current shipping out time is about 2 weeks after order is received. CoA, QC data and MSDS documents are available in one week after order is received.

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

Handling Instructions:

Preparing Stock Solutions

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.

Select a batch to recalculate based on the batch molecular weight:
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

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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.