SML3229

LY3000328

≥95% (HPLC)

• Synonym(s): (3R,4S)-4-(4-Fluorobenzamido)-6-(4-(oxetan-3-yl)piperazin-1-yl)chroman-3-yl methylcarbamate, LY 3000328, LY-3000328, N-[(3R,4S)-3,4-Dihydro-3-[[(methylamino)carbonyl]oxy]-6-[4-(3-oxetanyl)-1-piperazinyl]-2H-1-benzopyran-4-yl]-4-fluorobenzamide
• Empirical Formula (Hill Notation): C₂₅H₂₉FN₄O₅
• CAS Number: 1373215-15-6
• Molecular Weight: 484.52
• UNSPSC Code: 12352200
• NACRES: NA.77
• MDL number: MFCD28502827
• Assay: ≥95% (HPLC)
• Form: powder

Properties

• Quality Segment: 100
• assay: ≥95% (HPLC)
• form: powder
• color: white to beige
• solubility: DMSO: 2 mg/mL, clear
• storage temp.: −20°C
• SMILES string: O=C(C(C=C1)=CC=C1F)N[C@H]2C3=CC(N4CCN(C5COC5)CC4)=CC=C3OC[C@@H]2OC(NC)=O
• InChI: 1S/C25H29FN4O5/c1-27-25(32)35-22-15-34-21-7-6-18(29-8-10-30(11-9-29)19-13-33-14-19)12-20(21)23(22)28-24(31)16-2-4-17(26)5-3-16/h2-7,12,19,22-23H,8-11,13-15H2,1H3,(H,27,32)(H,28,31)/t22-,23-/m0/s1
• InChI key: NDEBZCZEAVMSQF-GOTSBHOMSA-N

Description

Biochem/physiol Actions

LY3000328 is an orally active, non-covalent, potent and selective cathepsin S (Cat S, Cat-S, CatS, CTSS) inhibitor (human/mouse CatS IC50 = 7.7/1.67 nM) that targets the S2 and S3 subsites without interacting with the active site Cys25. LY3000328 prevents high glucose-induced human aortic smooth muscle cells (SMCs) osteogenic transformation in cultures (1 µM) and displays in vivo therapeutic efficacy in murine models of CaCl2-induced abdominal aortic aneurysm (AAA) (1-10 mg/kg bid po) and CD4+ T cell-mediated colitis induction (0.1 mg/0.2 mL/mouse via daily i.p.).

Orally active, non-covalent, potent and selective cathepsin S (Cat S, Cat-S, CatS, CTSS) inhibitor in vitro and in vivo.

Safety Information

• Storage Class: 11 - Combustible Solids
• WGK: WGK 3
• Flash Point (°F): Not applicable
• Flash Point (°C): Not applicable