ChemicalBook >> CAS DataBase List >>3-(4-(aMinoMethyl)-1-(5-Methyl-7H-pyrrolo[2,3-d]pyriMidin-4-yl)piperidine-4-carboxaMido)phenyl diMethylcarbaMate

3-(4-(aMinoMethyl)-1-(5-Methyl-7H-pyrrolo[2,3-d]pyriMidin-4-yl)piperidine-4-carboxaMido)phenyl diMethylcarbaMate

CAS No.
1192189-69-7
Chemical Name:
3-(4-(aMinoMethyl)-1-(5-Methyl-7H-pyrrolo[2,3-d]pyriMidin-4-yl)piperidine-4-carboxaMido)phenyl diMethylcarbaMate
Synonyms
LX7101;CS-2042;LX7101 HCL;LX7101 (LX-7101);LX7101 (3-(4-(aminomethyl)-1-(5-methyl-7H-pyrrolo;inhibit,Inhibitor,LX 7101,LX7101,Rho-associated protein kinase,Rho-associated kinase,ROCK,LX-7101,Rho-kinase,ROK;3-(4-(aMinoMethyl)-1-(5-Methyl-7H-pyrrolo[2,3-d]pyriMidin-4-yl)piperidine-4-carboxaMido)phenyl diMethylcarbaMate;3-(4-(aminomethyl)-1-(5-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidine-4-carboxamido)phenyl N.N-dimethylcarbamate;LX7101 (3-(4-(aminomethyl)-1-(5-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidine-4-carboxamido)phenyl dimethylcarbamate;N,N-Dimethylcarbamic acid 3-[[[4-(aminomethyl)-1-(5-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)-4-piperidinyl]carbonyl]amino]phenyl ester
CBNumber:
CB42638542
Molecular Formula:
C23H29N7O3
Molecular Weight:
451.52
MDL Number:
MOL File:
1192189-69-7.mol
Last updated:2023-05-21 10:59:17

3-(4-(aMinoMethyl)-1-(5-Methyl-7H-pyrrolo[2,3-d]pyriMidin-4-yl)piperidine-4-carboxaMido)phenyl diMethylcarbaMate Properties

Density 1.327±0.06 g/cm3(Predicted)
storage temp. Store at -20°C
solubility insoluble in H2O; insoluble in EtOH; insoluble in DMSO
form solid
pka 13.96±0.70(Predicted)
FDA UNII 74B3C4ZT96

3-(4-(aMinoMethyl)-1-(5-Methyl-7H-pyrrolo[2,3-d]pyriMidin-4-yl)piperidine-4-carboxaMido)phenyl diMethylcarbaMate price

Manufacturer Product number Product description CAS number Packaging Price Updated Buy
ChemScene CS-5103 LX7101 99.57% 1192189-69-7 2mg $100 2021-12-16 Buy
ChemScene CS-5103 LX7101 99.57% 1192189-69-7 5mg $200 2021-12-16 Buy
ApexBio Technology B5863 LX7101HCL 1192189-69-7 2mg $205 2021-12-16 Buy
ChemScene CS-5103 LX7101 99.57% 1192189-69-7 10mg $350 2021-12-16 Buy
ApexBio Technology B5863 LX7101HCL 1192189-69-7 5mg $378 2021-12-16 Buy
Product number Packaging Price Buy
CS-5103 2mg $100 Buy
CS-5103 5mg $200 Buy
B5863 2mg $205 Buy
CS-5103 10mg $350 Buy
B5863 5mg $378 Buy

3-(4-(aMinoMethyl)-1-(5-Methyl-7H-pyrrolo[2,3-d]pyriMidin-4-yl)piperidine-4-carboxaMido)phenyl diMethylcarbaMate Chemical Properties,Uses,Production

Biological Activity

lim-kinases 1 and 2 (limk1 and limk2) regulate cytoskeletal dynamics by phosphorylating and deactivating cofilin, a protein that depolymerizes actin filaments. rock, a kinase upstream of limk in the signaling cascade that regulates actin filament dynamics, are being investigated in the clinic for reduction of iop through relaxation of the trabecular meshwork. lx7101 is a dual lim-kinase and rock inhibitor for the treatment of glaucoma.

in vitro

lx7101 proved significantly more selective for limk2. in addition, lx7101 was screened against a panel of 403 kinases. moderate selectivity was observed in this screen (34 assays including limk2 and rock2 indicated that the kd is most likely <1 μm) [1].

in vivo

at a well-tolerated dose, lx7101 achieved additional reduction of iop compared to the 0.1% formulation and demonstrated a long duration of action, with iop not returning to baseline until more than 8 h postdose. more critically, lx7101 produced a significantly greater reduction of iop than either timolol or latanoprost [1].

IC 50

4.3, 32, 69 and 32 nm for limk2, kimk1, rock1 and rock2, respectivley

References

[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.

3-(4-(aMinoMethyl)-1-(5-Methyl-7H-pyrrolo[2,3-d]pyriMidin-4-yl)piperidine-4-carboxaMido)phenyl diMethylcarbaMate Preparation Products And Raw materials

Raw materials

Preparation Products

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N,N-Dimethylcarbamic acid 3-[[[4-(aminomethyl)-1-(5-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)-4-piperidinyl]carbonyl]amino]phenyl ester 3-(4-(aMinoMethyl)-1-(5-Methyl-7H-pyrrolo[2,3-d]pyriMidin-4-yl)piperidine-4-carboxaMido)phenyl diMethylcarbaMate LX7101 LX7101 HCL Carbamic acid, N,N-dimethyl-, 3-[[[4-(aminomethyl)-1-(5-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)-4-piperidinyl]carbonyl]amino]phenyl ester LX7101 (3-(4-(aminomethyl)-1-(5-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidine-4-carboxamido)phenyl dimethylcarbamate CS-2042 LX7101 (LX-7101) 3-(4-(aminomethyl)-1-(5-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidine-4-carboxamido)phenyl N.N-dimethylcarbamate LX7101 (3-(4-(aminomethyl)-1-(5-methyl-7H-pyrrolo inhibit,Inhibitor,LX 7101,LX7101,Rho-associated protein kinase,Rho-associated kinase,ROCK,LX-7101,Rho-kinase,ROK 1192189-69-7 C23H30ClN7O3