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Merck
CN

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

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About This Item

Empirical Formula (Hill Notation):
C26H27BrClN3O3 · HCl · H2O
CAS Number:
2640870-12-6
Molecular Weight:
599.34
UNSPSC Code:
12352107
NACRES:
NA.77

Key Documents

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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

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

assay

≥98% (HPLC)

form

powder

storage condition

desiccated

color

white to beige

solubility

DMSO: 2 mg/mL, clear

storage temp.

2-8°C

Quality Level

100

Related Categories

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.

Storage Class

11 - Combustible Solids

wgk

WGK 3

flash_point_f

Not applicable

flash_point_c

Not applicable

Regulatory Information

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Certificates of Analysis (COA)

Lot/Batch Number
0000153165
0000153164
0000153164
0000153165
0000142864

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Hartmut Beck et al.
Journal of medicinal chemistry, 63(20), 11639-11662 (2020-09-25)
Idiopathic pulmonary fibrosis (IPF) is a rare and devastating chronic lung disease of unknown etiology. Despite the approved treatment options nintedanib and pirfenidone, the medical need for a safe and well-tolerated antifibrotic treatment of IPF remains high. The human prostaglandin

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