LX7101 (hydrochloride)

LX7101 is a potent inhibitor of LIM kinase (LIMK) 1 and 2 and Rho-associated kinase 1 (ROCK1) and ROCK2 with IC50 values of 32, 4.3, 69, and 32 nM, respectively. It is selective, showing no cross reactivity in a panel of binding assays including 78 receptors and transporters and 430 additional kinases, at a concentration of 10 µM. Topical administration (3 µl of 1 mg/ml solution) of LX7101 to the eye reduces intraocular pressure in a dexamethasone-induced mouse model of glaucoma.Formal Name: N,N-dimethyl-carbamic acid, 3-[[[4-(aminomethyl)-1-(5-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)-4-piperidinyl]carbonyl]amino]phenyl ester, monohydrochloride. CAS Number: 2319882-48-7. Molecular Formula: C23H29N7O3 . HCl. Formula Weight: 488.0. Purity: >98%. Formulation: (Request formulation change), A crystalline solid. Solubility: DMF: 3 mg/ml, DMSO: 3 mg/ml, PBS (pH 7.2): 5 mg/ml. lambdamax: 244, 297 nm. SMILES: CC1=CNC2=NC=NC(N3CCC(C(NC4=CC=CC(OC(N(C)C)=O)=C4)=O)(CN)CC3)=C21.Cl. InChi Code: InChI=1S/C23H29N7O3.ClH/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),1H. InChi Key: ZQRGQMCNRINKRN-UHFFFAOYSA-N.