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Cited in 0 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.
LX7101 monohydrochloride is a potent LIM-kinase , ROCK and PKA inhibitor with IC 50 s of 24 nM, 1.6 nM, 10 nM and <1 nM for LIMK1 , LIMK2 , ROCK2 and PKA , respectively. LX7101 monohydrochloride proves significantly selective for LIMK2 with IC 50 values of 4.3 nM and 32 nM for LIMK2 and LIMK1 at 2 μM ATP, respectively. LX7101 monohydrochloride has the potential for ocular hypertension and associated glaucoma research.
| Canonical Smiles | CC1=CNC2=C1C(=NC=N2)N3CCC(CC3)(CN)C(=O)NC4=CC(=CC=C4)OC(=O)N(C)C.Cl |
|---|---|
| IUPAC Name | [3-[[4-(aminomethyl)-1-(5-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidine-4-carbonyl]amino]phenyl] N,N-dimethylcarbamate;hydrochloride |
| InChIKey | ZQRGQMCNRINKRN-UHFFFAOYSA-N |
| 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 |
| Isomeric SMILES | CC1=CNC2=C1C(=NC=N2)N3CCC(CC3)(CN)C(=O)NC4=CC(=CC=C4)OC(=O)N(C)C.Cl |
| Alternate CAS | 1374644-80-0 |
| PubChem CID | 56962368 |
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