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MW 379.5 Da, Purity >98%. 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.

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CAS number

1627091-47-7

Purity

> 98%

Form

Liquid

Molecular weight

379.5 Da

Molecular formula

C21H25N5O2

PubChem identifier

78319901

Nature

Synthetic

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Target data

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MW 379.5 Da, Purity >98%. 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.

Key facts

Purity

> 98%

PubChem identifier

78319901

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

Storage

Shipped at conditions

Blue Ice

Appropriate long-term storage conditions

-20°C

Product promise

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Product protocols

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