ACT-678689

Description: ACT-678689 is a potent inhibitor of tryptophan hydroxylase 1 (TPH1).

Name: ACT-678689
CAS#: 1783256-96-1
Chemical Formula: C23H22ClFN6O4S2
Exact Mass: 564.0817
Molecular Weight: 565.03
Elemental Analysis: C, 48.89; H, 3.92; Cl, 6.27; F, 3.36; N, 14.87; O, 11.33; S, 11.35

IUPAC/Chemical Name: (S)-N-(6-Chloro-5-{2-[4-(2-fluoro-4-methyl-phenyl)-2-methyl-6,7-dihydro-4H-1-thia-3,3a,5,8-tetraaza-cyclopenta[a]inden-5-yl]-2-oxo-ethoxy}-pyridin-2-yl)-methanesulfonamide

InChi Key: XGWSHBGTWKYXMM-FQEVSTJZSA-N

InChi Code: InChI=1S/C23H22ClFN6O4S2/c1-12-4-5-14(15(25)10-12)20-21-16(26-23-31(21)28-13(2)36-23)8-9-30(20)19(32)11-35-17-6-7-18(27-22(17)24)29-37(3,33)34/h4-7,10,20H,8-9,11H2,1-3H3,(H,27,29)/t20-/m0/s1

SMILES Code: CS(=O)(NC1=NC(Cl)=C(OCC(N2CCC3=C(N4C(SC(C)=N4)=N3)[C@@H]2C5=CC=C(C)C=C5F)=O)C=C1)=O

Appearance: Solid powder