Description
Key facts
CAS number:1627091-47-7,
Purity:>98%,
Form:LiquidSee storage information,
Molecular weight:379.5 Da,
Molecular formula:C21H25N5O2,
PubChem:78319901,
Nature:Synthetic,
Biochemical name:MLi-2-Bio-X,
Biological description:Potent and selective LRRK2 inhibitor. Inhibits LRRK2 in cell-free (IC50 = 0.76 nM), cell-based (IC50 = 1.4 nM) and radioligand-binding (IC50 = 3.4 nM) assays. Greater than 295-fold selective against a panel of receptors, channels and over 300 kinases. Oral dosing results in reduced Ser935 phosphorylation of LRRK2 in animal models.,
Canonical smiles:CC1CN(CC(O1)C)C2=NC=NC(=C2)C3=NNC4=C3C=C(C=C4)OC5(CC5)C,
Isomeric smiles:C[C@@H]1CN(C[C@@H](O1)C)C2=NC=NC(=C2)C3=NNC4=C3C=C(C=C4)OC5(CC5)C,
InChi:InChI=1S/C21H25N5O2/c1-13-10-26(11-14(2)27-13)19-9-18(22-12-23-19)20-16-8-15(28-21(3)6-7-21)4-5-17(16)24-25-20/h4-5,8-9,12-14H,6-7,10-11H2,1-3H3,(H,24,25)/t13-,14+,
InChiKey:ATUUNJCZCOMUKD-OKILXGFUSA-N,
IUPAC Name:(2R,6S)-2,6-dimethyl-4-[6-[5-(1-methylcyclopropyl)oxy-1H-indazol-3-yl]pyrimidin-4-yl]morpholine
Properties and Storage Information:
Shipped at conditions-Blue Ice, Appropriate short-term storage conditions--20°C, Appropriate long-term storage conditions--20°C
