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Merck
CN

SML2890

BAY-899

≥98% (HPLC)

Synonym(s):

(5S)-N-[2-(4-Fluorophenoxy)pyrimidin-5-yl]-5-(4-fluorophenyl)-7,8-dihydro-1,6-naphthyridine-6(5H)-carboxamide, (S)-N-(2-(4-Fluorophenoxy)pyrimidin-5-yl)-5-(4-fluorophenyl)-7,8-dihydro-1,6-naphthyridine-6(5H)-carboxamide

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About This Item

Empirical Formula (Hill Notation):
C25H19F2N5O2
CAS Number:
2471967-92-5
Molecular Weight:
459.45
UNSPSC Code:
12352200
NACRES:
NA.77
MDL number:
MFCD32263051

Key Documents

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InChI

1S/C25H19F2N5O2/c26-17-5-3-16(4-6-17)23-21-2-1-12-28-22(21)11-13-32(23)25(33)31-19-14-29-24(30-15-19)34-20-9-7-18(27)8-10-20/h1-10,12,14-15,23H,11,13H2,(H,31,33)/t23-/m0/s1

InChI key

VKQBTIMLSDGNLG-QHCPKHFHSA-N

SMILES string

O=C(N1[C@@H](C2=CC=C(F)C=C2)C3=C(N=CC=C3)CC1)NC4=CN=C(OC5=CC=C(F)C=C5)N=C4

assay

≥98% (HPLC)

form

powder

optical activity

[α]/D 165 to 195°, c = 1 in chloroform-d

color

white to beige

solubility

DMSO: 1 mg/mL, clear

storage temp.

2-8°C

Quality Level

100

Biochem/physiol Actions

BAY-899 is an orally available, potent and selective antagonist of the human luteinizing hormone receptor (hLH-R) that reduces sex hormone levels in several animal models. BAY-899 likely binds to a putative rhodopsin-like binding cavity located within the 7-transmembrane region of the hLH-receptor.
orally available, potent and selective antagonist of the human luteinizing hormone receptor (hLH-R)

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
0000138687
0000138688
0000137148

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Lars Wortmann et al.
Journal of medicinal chemistry, 62(22), 10321-10341 (2019-11-02)
The human luteinizing hormone receptor (hLH-R) is a member of the glycoprotein hormone family of G-protein-coupled receptors (GPCRs), activated by luteinizing hormone (hLH) and essentially involved in the regulation of sex hormone production. Thus, hLH-R represents a valid target for

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