LRRK2-IN-1

• CAT Number: I000932
• CAS Number: 1234480-84-2
• Molecular Formula: C31H38N8O3
• Molecular Weight: 570.7
• Purity: ≥95%
• Target: LRRK2
• Solubility: 10 mM in DMSO
• Storage: Store at -20°C
• IC50: 13 nM (wild type); 6 nM (G2019S mutant); 2.45 μM (drug resistant A2016T mutant LRRK2)
• IUPAC Name: 2-[2-methoxy-4-[4-(4-methylpiperazin-1-yl)piperidine-1-carbonyl]anilino]-5,11-dimethylpyrimido[4,5-b][1,4]benzodiazepin-6-one
• 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
• SMILES: CN1CCN(CC1)C2CCN(CC2)C(=O)C3=CC(=C(C=C3)NC4=NC=C5C(=N4)N(C6=CC=CC=C6C(=O)N5C)C)OC

LRRK2-IN-1（Cat No.:I000932） is a potent, selective, and ATP-competitive inhibitor of leucine-rich repeat kinase 2 (LRRK2). It is capable of permeating cells and inhibiting LRRK2 activity. The compound demonstrates impressive potency with IC50 values of 13 nM, 6 nM, and 2.45 μM for wild-type, G2019S mutant, and drug-resistant A2016T mutant LRRK2, respectively. These findings suggest the potential of LRRK2-IN-1 as a valuable tool compound for studying LRRK2-related diseases and as a potential therapeutic agent for conditions associated with LRRK2 dysfunction.

Reference

1:Erratum to: Synthesis and In Vitro and In Vivo Evaluation of [3H]LRRK2-IN-1 as a Novel Radioligand for LRRK2. Malik N, Gifford AN, Sandell J, Tuchman D, Ding YS.Mol Imaging Biol. 2017 May 1. doi: 10.1007/s11307-017-1086-6. [Epub ahead of print] No abstract available. PMID: 28462461 2:Synthesis and In Vitro and In Vivo Evaluation of [3H]LRRK2-IN-1 as a Novel Radioligand for LRRK2. Malik N, Gifford AN, Sandell J, Tuchman D, Ding YS.Mol Imaging Biol. 2017 Mar 13. doi: 10.1007/s11307-017-1070-1. [Epub ahead of print] Erratum in: Mol Imaging Biol. 2017 May 1;:. PMID: 28289968 3:Alternative to LRRK2-IN-1 for Pharmacological Studies of Parkinson/’s Disease. Koshibu K, van Asperen J, Gerets H, Garcia-Ladona J, Lorthioir O, Courade JP.Pharmacology. 2015;96(5-6):240-7. doi: 10.1159/000439136. Epub 2015 Sep 18. PMID: 26382237 4:Small molecule kinase inhibitor LRRK2-IN-1 demonstrates potent activity against colorectal and pancreatic cancer through inhibition of doublecortin-like kinase 1. Weygant N, Qu D, Berry WL, May R, Chandrakesan P, Owen DB, Sureban SM, Ali N, Janknecht R, Houchen CW.Mol Cancer. 2014 May 6;13:103. doi: 10.1186/1476-4598-13-103. PMID: 24885928 Free PMC Article