SML3077

Teneligliptin hydrobromide hydrate

≥98% (HPLC)

• Synonym(s): 3-[(2S,4S)-4-[4-(3-Methyl-1-phenyl-1H-pyrazol-5-yl)piperazin-1-yl]pyrrolidin-2-ylcarbonyl]thiazolidine, hydrobromide, hydrate, [(2S,4S)-4-[4-(3-Methyl-1-phenyl-1H-pyrazol-5-yl)-1-piperazinyl]-2-pyrrolidinyl]-3-thiazolidinylmethanone, hydrobromide (1:x), hydrate (1:x), [(2S,4S)-4-[4-(3-Methyl-1-phenyl-1H-pyrazol-5-yl)piperazin-1-yl]pyrrolidin-2-yl](1,3-thiazolidin-3-yl)methanone, hydrobromide, hydrate
• Empirical Formula (Hill Notation): C₂₂H₃₀N₆OS · xHBr · yH₂O
• Molecular Weight: 426.58 (anhydrous free base basis)
• UNSPSC Code: 12352200
• NACRES: NA.77
• Assay: ≥98% (HPLC)
• Form: powder
• Storage condition: desiccated

Properties

• Quality Segment: 100
• assay: ≥98% (HPLC)
• form: powder
• optical activity: [α]/D -28 to -36°, c = 0.5 in methanol
• storage condition: desiccated
• color: white to very dark gray
• solubility: H₂O: 2 mg/mL, clear
• storage temp.: −20°C
• SMILES string: CC1=NN(C(N2CCN(CC2)[C@@]3(CN[C@@H](C3)C(N4CSCC4)=O)[H])=C1)C5=CC=CC=C5.[xHBr].[yH2O]

Description

Biochem/physiol Actions

Orally active, substrate-competitive, highly potent and selective dipeptidyl peptidase IV inhibitor with therapeutic efficacy against type 2 diabetes in vivo.

Teneligliptin is an orally active, substrate-competitive, highly potent and selective dipeptidyl peptidase IV inhibitor (IC50 in nM = 0.889/hrDPP-IV,1.75/human plasma, 1.35/rat plasma; 700- and 1500-fold selectivity over DPP-8 and DPP-9, respectively). Teneligliptin inhibits plasma DDP-IV activtiy (ED50 = 0.41mg/kg p.o. in Wistar rats) with therapeutic efficacy against type 2 diabetes in Zucker fa/fa rats in vivo (0.1-1 mg/kg p.o.).

Safety Information

• pictograms: GHS07
• signalword: Warning
• hcodes: H302
• pcodes: P264 - P270 - P301 + P312 - P501
• Hazard Classifications: Acute Tox. 4 Oral
• Storage Class: 11 - Combustible Solids
• wgk: WGK 3
• flash_point_f: Not applicable
• flash_point_c: Not applicable