Verubecestat TFA

• CAS: 2095432-65-6
• Catalog Number: ACM2095432656
• Category: Inhibitors
• Molecular Weight: 523.44
• Molecular Formula: C19H18F5N5O5S
• Description: Verubecestat, also known as MK-8931 or SCH 900931, is a potent and selective beta-secretase inhibitor, and BACE1 protein inhibitor or Beta-site APP-cleaving enzyme 1 inhibitor. Verubecestat is a promising novel therapeutic drug candidate in Alzheimer's disease. Verubecestat reduced Aβ cerebral spinal fluids (CSF) levels up to 92% and was well tolerated by patients.
• Synonyms: MK-8931; MK 8931; MK8931; MK-8931-009; SCH 900931; SCH-900931; SCH900931; Verubecestat TFA
• IUPAC Name: (R)-N-(3-(3-amino-2,5-dimethyl-1,1-dioxido-5,6-dihydro-2H-1,2,4-thiadiazin-5-yl)-4-fluorophenyl)-5-fluoropicolinamide trifluoroacetic acid
• Canonical SMILES: O=C(NC1=CC=C(F)C([C@@](C2)(C)N=C(N)N(C)S2(=O)=O)=C1)C3=NC=C(F)C=C3.O=C(O)C(F)(F)F
• InChI: InChI=1S/C17H17F2N5O3S.C2HF3O2/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;3-2(4,5)1(6)7/h3-8H,9H2,1-2H3,(H2,20,23)(H,22,25);(H,6,7)/t17-;/m0./s1
• InChI Key: MNYVOIVLGITLBF-LMOVPXPDSA-N
• Solubility: Soluble in DMSO, not in water
• Appearance: White to off-white solid powder
• Shelf Life: >2 years if stored properly
• Storage: Dry, dark and at 0-4 °C for short term (days to weeks) or -20 °C for long term (months to years).
• Alternative CAS: 2095432-65-6 (TFA); 1286770-55-5 (free base); 1875153-95-9 (Tosylate); 1970144-54-7 (HBr); 1897370-45-4 (hydrate)
• Drug Formulation: This drug may be formulated in DMSO
• Elemental Analysis: C, 43.60; H, 3.47; F, 18.15; N, 13.38; O, 15.28; S, 6.12
• Exact Mass: 409.102
• HS Tariff Code: 2934.99.9001
• Shipping: Shipped under ambient temperature as non-hazardous chemical. This product is stable enough for a few weeks during ordinary shipping and time spent in Customs.
• Stock Solution Storage: 0-4 °C for short term (days to weeks), or -20 °C for long term (months).