LRRK2-IN-1 is a cell-permeable, ATP competitive, potent, and selective LRRK2 inhibitor. IC50 is 13 nM, 6 nM, and 2.45 M for wild type, G2019S mutant, and drug resistant A2016T mutant LRRK2, respectively.
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Chemical Information
Name LRRK2-IN-1
Iupac Chemical 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
Synonyms LRRK 2-IN-1
Molecular Formula C31H38N8O3
Molecular Weight 570.69
Smile COC1=C(NC=2N=CC3=C(N(C4=C(C(N3C)=O)C=CC=C4)C)N2)C=CC(=C1)C(=O)N1CCC(CC1)N1CCN(CC1)C
InChiKey IWMCPJZTADUIFX-UHFFFAOYSA-N
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)
CAS Number 1234480-84-2
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Ordering Information
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Formulation Solid powder
Purity 97%
Storage -20 ºC for 3 years
Solubility Soluble in DMSO
Handling
Shipping Condition Shipped under ambient temperature
HS Code
Targets
Mechanism
Cell study
Animal study
Clinical study