17238-47-0 , 1-萘基 β-D-葡萄糖醛酸,1-Naphthyl b-D-glucuronide

17238-47-0 , 1-萘基 β-D-葡萄糖醛酸,
1-Naphthyl b-D-glucuronide,
Cas:17238-47-0
C16H16O7 / 320.29
MFCD00047138

1-萘基 β-D-葡萄糖醛酸, 1-Naphthyl b-D-glucuronide

1-Naphthyl β-D-glucuronide (1NG) is a glucuronide conjugate that is used as an experimental model to study the transport of drugs across cell membranes. 1NG has been shown to inhibit the activity of p-glycoprotein, which may be due to its ability to bind to the ATP binding site on this transporter. 1NG inhibits the uptake of carbaryl and dinucleotide phosphate by primary cells, which could be due to its ability to inhibit enzyme activities. This compound also interacts with other drugs, such as atenolol and erythromycin, which can lead to drug interactions.

CAS Number	17238-47-0
Product Name	1-Naphthyl glucuronide
IUPAC Name	(2S,3S,4S,5R,6S)-3,4,5-trihydroxy-6-naphthalen-1-yloxyoxane-2-carboxylic acid
Molecular Formula	C16H16O7
Molecular Weight	320.29 g/mol
InChI	InChI=1S/C16H16O7/c17-11-12(18)14(15(20)21)23-16(13(11)19)22-10-7-3-5-8-4-1-2-6-9(8)10/h1-7,11-14,16-19H,(H,20,21)/t11-,12-,13+,14-,16+/m0/s1
InChI Key	KEQWBZWOGRCILF-JHZZJYKESA-N
SMILES	C1=CC=C2C(=C1)C=CC=C2OC3C(C(C(C(O3)C(=O)O)O)O)O
Synonyms	1-naphthol-beta-D-glucuronide, 1-naphthyl glucuronide, naphthyl glucuronide, naphthyl glucuronide, (beta-D)-isomer, naphthyl glucuronide, monosodium salt
Canonical SMILES	C1=CC=C2C(=C1)C=CC=C2OC3C(C(C(C(O3)C(=O)O)O)O)O
Isomeric SMILES	C1=CC=C2C(=C1)C=CC=C2O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)C(=O)O)O)O)O