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BI 689648 (Standard)

CAT: 0804-HY-101217RSize: 1 EachDry Ice: NoHazardous: No
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Description
BI 689648 (Standard) is the analytical standard of BI 689648. This product is intended for research and analytical applications. BI 689648 is a novel, highly selective aldosterone synthase inhibitor which can inhibit CYP11B1 and CYP11B2 with IC50s of 310 and 2.1 nM, respectively.
CAS Number
1633009-87-6
Target
Cytochrome P450; Reference Standards
Related Pathways
Metabolic Enzyme/Protease; Others
Field of Research
Endocrinology
Smiles
O=C(N1CCCC2=C1N=CC(C3=CC(COC)=CN=C3)=C2)N
Molecular Formula
C16H18N4O2
Molecular Weight
298.34
References & Citations
[1]Weldon SM, et al. Selectivity of BI 689648, a Novel, Highly Selective Aldosterone Synthase Inhibitor: Comparison with FAD286 and LCI699 in Nonhuman Primates. J Pharmacol Exp Ther. 2016 Oct;359 (1) :142-50.
Shipping Conditions
Room temperature
Scientific Category
Reference Standards

Chemical Information

6-[5-(methoxymethyl)-3-pyridinyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide
CAS Number1633009-87-6
PubChem CID86305663
IUPAC Name6-[5-(methoxymethyl)-3-pyridinyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide
Molecular FormulaC16H18N4O2
Molecular Weight298.34
XLogP0.6
Topological Polar Surface Area81.3
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count3
Heavy Atom Count22
Formal Charge0
Complexity392
SMILES
COCC1=CC(=CN=C1)C2=CC3=C(N=C2)N(CCC3)C(=O)N
InChI
InChI=1S/C16H18N4O2/c1-22-10-11-5-13(8-18-7-11)14-6-12-3-2-4-20(16(17)21)15(12)19-9-14/h5-9H,2-4,10H2,1H3,(H2,17,21)
InChIKey
DJFDCVNQDFICKV-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 6-[5-(methoxymethyl)-3-pyridinyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide
CAS: 1633009-87-6
CID: 86305663
Formula: C16H18N4O2
MW: 298.34
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight298.34
XLogP30.6
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count3
Exact Mass298.14297583
Monoisotopic Mass298.14297583
Topological Polar Surface Area81.3 Ų
Heavy Atom Count22
Formal Charge0
Complexity392
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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Alternative Products

CatalogName
IQC00987-01BI 689648
A20499-100BI 689648 100mg
A20499-50BI 689648 50mg
A20499-1BI 689648 1mg
A20499-25BI 689648 25mg
A20499-10BI 689648 10mg
A20499-5BI 689648 5mg
A20499-10mM-DBI 689648 10mM * 1mL in DMSO
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