Description:
Verubecestat, an iminothiadiazine dioxide compound, is an oral BACE1 inhibitor originated by Merck & Co. It can bind significantly to β-secretase. Verubecestat has the potent effect to treat Alzheimer's disease and is currently in Phase III clinical trials.
- Molecular Weight: 409.41
- Molecular Formula: C17H17F2N5O3S
Purity: 98%
Canonical SMILES:
CC1(CS(=O)(=O)N(C(=N1)N)C)C2=C(C=CC(=C2)NC(=O)C3=NC=C(C=C3)F)F
InChI:
InChI=1S/C17H17F2N5O3S/c1-17(9-28(26,27)24(2)16(20)23-17)12-7-11(4-5-13(12)19)22-15(25)14-6-3-10(18)8-21-14/h3-8H,9H2,1-2H3,(H2,20,23)(H,22,25)/t17-/m0/s1
InChIKey: YHYKUSGACIYRML-KRWDZBQOSA-N
- Solubility: DMSO ≥ 35 mg/Ml
- Appearance: White Powder
- Application: Alzheimer's disease
- Storage: 2 - 8°C
Synonyms:
N-[3-[(5R)-3-amino-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-5-yl]-4-fluorophenyl]-5-fluoropyridine-2-carboxamide; J1I0P6WT7T; Verubecestat; UNII-J1I0P6WT7T; J1I0P6WT7T; 1286770-55-5; Verubecestat [USAN]; Verubecestat (USAN/INN); GTPL8699; CHEMBL3301601; SCHEMBL10328722; SCHEMBL17507398; BDBM143220; example 25 (US8940748); SCH-900931; D10739; US8940748, 25; 2-Pyridinecarboxamide, N-(3-((5R)-3-amino-5,6-dihydro-2,5-dimethyl-1,1-dioxido-2H-1,2,4-thiadiazin-5-yl)-4-fluorophenyl)-5-fluoro-; N-(3-((5R)-3-amino-2,5-dimethyl-1,1-dioxo-1,2,5,6-tetrahydro-1lambda6,2,4-thiadiazin-5-yl)-4-fluorophenyl)-5-fluoropyridine-2-carboxamide; N-(3-((5R)-3-amino-2,5-dimethyl-1,1-dioxo-5,6-dihydro-2H-1lambda6,2,4-thiadiazin-5-yl)-4-fluorophenyl)-5-fluoropyridine-2-carboxamide; N-[3-[(5R)-3-amino-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-5-yl]-4-fluorophenyl]-5-fluoropyridine-2-carboxamide
More details are to be found on supplier website
