SML3232

BAY-6672 hydrochloride hydrate

≥98% (HPLC)

• Synonym(s): (+)-(4R)-5-({[6-Bromo-3-methyl-2-(pyrrolidin-1-yl)quinolin-4-yl]carbonyl}amino)-4-(2-chlorophenyl)pentanoic acid, BAY 6672 hydrochloride hydrate, BAY6672 hydrochloride hydrate, hydrochloride hydrate
• Empirical Formula (Hill Notation): C₂₆H₂₇BrClN₃O₃ · HCl · H₂O
• CAS Number: 2640870-12-6
• Molecular Weight: 599.34
• UNSPSC Code: 12352107
• NACRES: NA.77
• Assay: ≥98% (HPLC)
• Form: powder
• Storage condition: desiccated

Properties

• Quality Segment: 100
• assay: ≥98% (HPLC)
• form: powder
• storage condition: desiccated
• color: white to beige
• solubility: DMSO: 2 mg/mL, clear
• storage temp.: 2-8°C
• SMILES string: ClC1=CC=CC=C1[C@@H](CCC(O)=O)CNC(C2=C(C)C(N3CCCC3)=NC4=CC=C(Br)C=C42)=O.Cl.O
• InChI: 1S/C26H27BrClN3O3.ClH.H2O/c1-16-24(20-14-18(27)9-10-22(20)30-25(16)31-12-4-5-13-31)26(34)29-15-17(8-11-23(32)33)19-6-2-3-7-21(19)28;;/h2-3,6-7,9-10,14,17H,4-5,8,11-13,15H2,1H3,(H,29,34)(H,32,33);1H;1H2/t17-;;/m0../s1
• InChI key: GGGPATBQZZPKRC-RMRYJAPISA-N

Description

Biochem/physiol Actions

BAY-6672 is an orally active, potent and selective prostaglandin F receptor (FP-R, PTGFR) antagonist (IC50 = 11 nM against 3 nM PGF2?-induced calcium flux in hFP-R Chem-1 cells; IC50 = 12/18 nM against 3 μM PGF2α-induced KC/MCP1 production in NIH-3T3) with >420-fold selectivity over human prostaglandin receptors (PG-Rs) EP1-4, DP, CRTH2 and IP. BAY-6672 shows in vivo efficacy in a murine lung fibrosis model (3, 10, 30 mg/kg b.i.d. p.o.).

Orally active, potent and selective prostaglandin F receptor (FP-R, PTGFR) antagonist with in vivo efficacy in a murine lung fibrosis model.

Safety Information

• Storage Class: 11 - Combustible Solids
• wgk: WGK 3
• flash_point_f: Not applicable
• flash_point_c: Not applicable