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BI 689648 - 99%, high purity , CAS No.1633009-87-6

Grade & Purity:

≥99%

Cas Number: 1633009-87-6
Molecular Weight: 298.34
PubChem CID: 86305663

In stock

Item Number

B651791

Grouped product items
SKU	Size	Availability	Price
B651791-5mg	5mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$300.90
B651791-10mg	10mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$500.90
B651791-25mg	25mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$950.90
B651791-50mg	50mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$1,550.90
B651791-100mg	100mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$2,350.90

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Cytochrome P450 (241) Lipid metabolism (1912) Metabolic Enzyme/Protease (4860)

Specifications & Purity	≥99%
Biochemical and Physiological Mechanisms	BI 689648 is a novel, highly selective aldosterone synthase inhibitor which can inhibit CYP11B1 and CYP11B2 with IC 50 s of 310 and 2.1 nM, respectively.
Storage Temp	Store at -20°C
Shipped In	Ice chest + Ice pads This product requires cold chain shipping. Ground and other economy services are not available.
Product Description	BI 689648 is a novel, highly selective aldosterone synthase inhibitor which can inhibit CYP11B1 and CYP11B2 with IC 50 s of 310 and 2.1 nM, respectively. In Vitro Compare with the FADs and LCI699, BI 689648 is highly selective in vitro , providing an IC 50 for CYP11B2 of 2.1 nM and a selectivity factor of 149 over CYP11B1. FAD286, by comparison, shows a similar IC 50 for CYP11B2 (2.5 nM); however, its greater potency against CYP11B1 (94 nM) results in a comparatively modest selectivity factor of 38, approximately 4-fold less than BI 689648. MCE has not independently confirmed the accuracy of these methods. They are for reference only. In Vivo After oral administration in cyno monkeys, BI 689648 (5 mg/kg) exhibits a peak plasma concentration of ~500 nM. For BI 689648 (aldosterone EC 50 =2 nM), appreciable changes in 11-DOC are only noted at plasma concentrations >2000 nM or >1000-fold its aldosterone EC 50 while FAD286 shows a window of ~100-fold. BI 689648 exhibits minimal impact on 11-DC and only at very high plasma concentrations (~10 μM) . MCE has not independently confirmed the accuracy of these methods. They are for reference only. Form:Solid IC50& Target:IC50: 310 nM (CYP11B1), 2.1 nM (CYP11B2)

Kingdom	Organic compounds
Superclass	Organoheterocyclic compounds
Class	Pyridines and derivatives
Subclass	Bipyridines and oligopyridines
Intermediate Tree Nodes	Not available
Direct Parent	Bipyridines and oligopyridines
Alternative Parents	Naphthyridines Imidolactams Heteroaromatic compounds Ureas Dialkyl ethers Azacyclic compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework	Aromatic heteropolycyclic compounds
Substituents	Bipyridine - Naphthyridine - Imidolactam - Heteroaromatic compound - Urea - Dialkyl ether - Ether - Azacycle - Organooxygen compound - Organonitrogen compound - Organic oxygen compound - Organic nitrogen compound - Organic oxide - Hydrocarbon derivative - Carbonyl group - Aromatic heteropolycyclic compound
Description	This compound belongs to the class of organic compounds known as bipyridines and oligopyridines. These are organic compounds containing two pyridine rings linked to each other.
External Descriptors	Not available
1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61. DOI: 10.1186/s13321-016-0174-y

IUPAC Name	6-[5-(methoxymethyl)pyridin-3-yl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide
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
Smiles	COCC1=CC(=CN=C1)C2=CC3=C(N=C2)N(CCC3)C(=O)N
Isomeric SMILES	COCC1=CC(=CN=C1)C2=CC3=C(N=C2)N(CCC3)C(=O)N
PubChem CID	86305663
MeSH Entry Terms	6-(5-methoxymethylpyridin-3-yl)-3,4-dihydro-2H-(1,8)naphthyridine-1-carboxylic acid amide;BI 689648
Molecular Weight	298.34

Solubility	DMSO : 30 mg/mL (100.56 mM; Need ultrasonic and warming)
Molecular Weight	298.340 g/mol
XLogP3	0.600
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	3
Exact Mass	298.143 Da
Monoisotopic Mass	298.143 Da
Topological Polar Surface Area	81.300 Å²
Heavy Atom Count	22
Formal Charge	0
Complexity	392.000
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
The total count of all stereochemical bonds	0
Covalently-Bonded Unit Count	1

BI 689648 - 99%, high purity , CAS No.1633009-87-6

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