CAS 350508-29-1

Pyridinium, 1-β-D-glucopyranuronosyl-3-[(1S)-1-hydroxy-4-(methylnitrosoamino)butyl]-, inner salt, stereoisomer

Description:

Pyridinium, 1-β-D-glucopyranuronosyl-3-[(1S)-1-hydroxy-4-(methylnitrosoamino)butyl]-, inner salt, with CAS number 350508-29-1, is a complex organic compound characterized by its unique structural features. It contains a pyridinium moiety, which is a positively charged nitrogen-containing aromatic ring, and is linked to a glucopyranuronosyl group, indicating the presence of a sugar derivative that contributes to its solubility and potential biological activity. The compound also features a hydroxybutyl chain that is substituted with a methylnitrosoamino group, which is significant for its reactivity and potential interactions in biological systems. As an inner salt, it suggests that the compound has both acidic and basic functional groups, allowing for intramolecular interactions that can influence its stability and solubility in various solvents. The stereochemistry, indicated by the (1S) designation, implies specific spatial arrangements of atoms that can affect the compound's pharmacological properties and interactions with biological targets. Overall, this compound may have implications in medicinal chemistry and biochemistry, particularly in the study of drug design and development.

Formula: C₁₆H₂₃N₃O₈

InChI: InChI=1S/C16H23N3O8/c1-18(17-26)6-3-5-10(20)9-4-2-7-19(8-9)15-13(23)11(21)12(22)14(27-15)16(24)25/h2,4,7-8,10-15,20-23H,3,5-6H2,1H3

InChI key: InChIKey=VSVYJUYJFLYYSI-UHFFFAOYSA-N

SMILES: OC1C(OC(C([O-])=O)C(O)C1O)[N+]=2C=C(C(CCCN(N=O)C)O)C=CC2

Synonyms:

• Pyridinium, 1-β-D-glucopyranuronosyl-3-[(1S)-1-hydroxy-4-(methylnitrosoamino)butyl]-, inner salt, stereoisomer

4-(Methylnitrosamino)-1-(3-pyridyl)-1-butanol-N-b-D-glucuronide

CAS: 350508-29-1

Ref: 7W-GC3379

4-(Methylnitrosamino)-1-(3-pyridyl)-1-butanol N-β-D-Glucuronide

Controlled Product

CAS: 350508-29-1

Stability Hygroscopic
Applications A metabolite of NNAL.
References Hecht, S.S., et al.: Chem. Res. Toxicol., 14, 555 (2001)

Formula: C₁₆H₂₃N₃O₈

Color and Shape: Off-White To Yellow

Molecular weight: 385.37

Ref: TR-M325745

4-(Methylnitrosamino-d3)-1-(3-pyridyl)-1-butanol N-β-D-Glucuronide (>80%)

Controlled Product

CAS: 350508-29-1

Applications A deuterated metabolite of NNAL.
References Hecht, S.S., et al.: Chem. Res. Toxicol., 14, 555 (2001)

Formula: C₁₆H₂₀D₃N₃O₈

Purity: >80%

Color and Shape: Neat

Molecular weight: 388.39

Ref: TR-M325747

4-(Methylnitrosamino)-1-(3-pyridyl)-1-butanol-N-b-D-glucuronide

CAS: 350508-29-1

4-(Methylnitrosamino)-1-(3-pyridyl)-1-butanol-N-b-D-glucuronide is a glycosylated, modified sugar with a fluorinated methyl group. It is synthesized in the laboratory and does not occur naturally. The sugar moiety of this compound contains an oligosaccharide that consists of a complex carbohydrate, including saccharides, monosaccharides, and polysaccharides. This modification can be done by click chemistry or by other methods. 4-(Methylnitrosamino)-1-(3-pyridyl)-1-butanol-N-b-D-glucuronide is high purity and modification products are available upon request.

Formula: C₁₆H₂₃N₃O₈

Purity: Min. 95%

Molecular weight: 385.37 g/mol

Ref: 3D-MM04545