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(R) -BAY-899

CAT: 0804-HY-130248B-01Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0804-HY-130248B-01Size:5 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
(R) -BAY-899 is the R-enantiomer of BAY-899. BAY-899 is an orally active and selective luteinizing hormone receptor (LH-R) antagonist with IC50s of 185 nM and 46nM for hLH (human LH) and rLH (rat LH), respectively[1].
CAS Number
2988191-40-6
UNSPSC
12352005
Target
GnRH Receptor
Type
Reference compound
Related Pathways
GPCR/G Protein
Field of Research
Others
Assay Protocol
https://www.medchemexpress.com/r-bay-899.html
Purity
99.89
Solubility
DMSO : 125 mg/mL (ultrasonic; warming; heat to 60°C)
Smiles
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
Molecular Formula
C25H19F2N5O2
Molecular Weight
459.45
References & Citations
[1]Wortmann L, et al. Discovery of BAY-298 and BAY-899: Tetrahydro-1,6-naphthyridine-Based, Potent and Selective Antagonists of the Luteinizing Hormone Receptor Which Reduce Sex Hormone Levels In Vivo. J Med Chem. 2019 Oct 31.
Shipping Conditions
Room Temperature
Storage Conditions
-20°C, 3 years; 4°C, 2 years (Powder)
Scientific Category
Reference compound1
Clinical Information
No Development Reported

Chemical Information

CID 162640798
CAS Number2988191-40-6
PubChem CID162640798
IUPAC Name(5R)-N-[2-(4-fluorophenoxy)pyrimidin-5-yl]-5-(4-fluorophenyl)-7,8-dihydro-5H-1,6-naphthyridine-6-carboxamide
Molecular FormulaC25H19F2N5O2
Molecular Weight459.4
XLogP3.6
Topological Polar Surface Area80.2
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count7
Rotatable Bond Count4
Heavy Atom Count34
Formal Charge0
Complexity664
SMILES
C1CN([C@@H](C2=C1N=CC=C2)C3=CC=C(C=C3)F)C(=O)NC4=CN=C(N=C4)OC5=CC=C(C=C5)F
InChI
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-/m1/s1
InChIKey
VKQBTIMLSDGNLG-HSZRJFAPSA-N
Chemical Structure
2D Structure
2D structure of CID 162640798
CAS: 2988191-40-6
CID: 162640798
Formula: C25H19F2N5O2
MW: 459.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight459.4
XLogP33.6
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count7
Rotatable Bond Count4
Exact Mass459.15068119
Monoisotopic Mass459.15068119
Topological Polar Surface Area80.2 Ų
Heavy Atom Count34
Formal Charge0
Complexity664
Isotope Atom Count0
Defined Atom Stereocenter Count1
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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