GNE7915, LRRK2 inhibitor

Key facts

CAS番号

1351761-44-8

精製度

>99%

製品の状態

Solid

form

分子量

443.4 Da

分子式

C₁₉H₂₁F₄N₅O₃

PubChem

58539171

由来

Synthetic

溶解性

Soluble in DMSO to 50 mM warming

化学名

[4-[[4-(Ethylamino)-5-(trifluoromethyl)pyrimidin-2-yl]amino]-2-fluoro-5-methoxyphenyl]-morpholin-4-ylmethanone

生物学的記述

Potent and selective, brain penetrant LRRK2 inhibitor (IC₅₀ = 9 nM; K_i = 1nM). Tested against a panel of 187 kinases only one was inhibited >50% at 100 nM. Displays moderate 5-HT2B anatagonist activity in vitro.

Canonical smiles

CCNC1=NC(=NC=C1C(F)(F)F)NC2=C(C=C(C(=C2)F)C(=O)N3CCOCC3)OC

InChi

InChI=1S/C19H21F4N5O3/c1-3-24-16-12(19(21,22)23)10-25-18(27-16)26-14-9-13(20)11(8-15(14)30-2)17(29)28-4-6-31-7-5-28/h8-10H,3-7H2,1-2H3,(H2,24,25,26,27)

InChiKey

XCFLWTZSJYBCPF-UHFFFAOYSA-N

IUPAC名

[4-[[4-(ethylamino)-5-(trifluoromethyl)pyrimidin-2-yl]amino]-2-fluoro-5-methoxyphenyl]-morpholin-4-ylmethanone