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LRRK2-IN-1
Axon 2493
CAS:
1234480-84-2
Purity:
99%
- Soluble in 0.1N HCl(aq) and DMSO
- MF: C31H38N8O3
- MW: 570.69
Description
Potent, ATP-competitive and selective inhibitor of the Parkinson's disease kinase LRRK2 (IC50 value 13 nM and 6 nM for inhibitions of WT and G2019S mutant LRRK2 kinase activity, respectively). LRRK2IN1 is neuroprotective in vitro and inhibits the activity of LRRK2 in kidney and spleen when administered in vivo. However, LRRK 2-IN-1 is not able to cross the BBB.
More Information
| Parent CAS No. | 1234480-84-2 |
|---|---|
| Chemical Name | 2-(2-methoxy-4-(4-(4-methylpiperazin-1-yl)piperidine-1-carbonyl)phenylamino)-5,11-dimethyl-5H-benzo[e]pyrimido[5,4-b][1,4]diazepin-6(11H)-one |
| SMILES | N1(C)C2=CC=CC=C2C(=O)N(C)C2=CN=C(NC3=CC=C(C(N4CCC(N5CCN(C)CC5)CC4)=O)C=C3OC)N=C12 |
| MFCD | N.A. |
| InChi | InChI=1S/C31H38N8O3/c1-35-15-17-38(18-16-35)22-11-13-39(14-12-22)29(40)21-9-10-24(27(19-21)42-4)33-31-32-20-26-28(34-31)36(2)25-8-6-5-7-23(25)30(41)37(26)3/h5-10,19-20,22H,11-18H2,1-4H3,(H,32,33,34) |
| InChiKey | IWMCPJZTADUIFX-UHFFFAOYSA-N |
| CID | 46843906 |
| Short Description | LRRK2 inhibitor |
References
- B.K. Gilsbach et al. Structural Characterization of LRRK2 Inhibitors. J Med Chem. 2015 May 14;58(9):3751-6.
- X. Deng et al. Characterization of a selective inhibitor of the Parkinson's disease kinase LRRK2. Nat Chem Biol. 2011 Apr;7(4):203-5.
- L. Munoz et al. Optimisation of LRRK2 inhibitors and assessment of functional efficacy in cell-based models of neuroinflammation. Eur J Med Chem. 2015 May 5;95:29-34.
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