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1616113-45-1

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1616113-45-1 Structure

1616113-45-1 Structure
IdentificationBack Directory
[Name]

VRT-1353385
[CAS]

1616113-45-1
[Synonyms]

EB8018
CS-1707
Sibofimloc
VRT-1353385
Antibiotic-202
VRT 1353385;VRT1353385
Antibiotic 202, Sibofimloc
Antibiotic-202, VRT-1353385
8,8'-(1'-Acetylspiro[9H-fluorene-9,4'-piperidine]-2,7-diyl)bis[2,6-anhydro-7,8-dideoxy-D-glycero-D-manno-oct-7-ynitol]
D-glycero-D-manno-Oct-7-ynitol, 8,8'-(1'-acetylspiro[9H-fluorene-9,4'-piperidine]-2,7-diyl)bis[2,6-anhydro-7,8-dideoxy-
1-[2,7-bis[2-[(2R,3S,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]ethynyl]spiro[fluorene-9,4'-piperidine]-1'-yl]ethanone
1-[2,7-bis[2-[(2R,3S,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]ethynyl]spiro[fluorene-9,4'-piperidine]-1'-yl]ethanone
1-(2,7-bis(((2R,3S,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl)ethynyl)-1'l4-spiro[fluorene-9,4'-piperidin]-1'-yl)ethan-1-one
[EINECS(EC#)]

604-604-1
[Molecular Formula]

C35H39NO11
[MOL File]

1616113-45-1.mol
[Molecular Weight]

649.68
Chemical PropertiesBack Directory
[storage temp. ]

Store at -20°C
[solubility ]

≥ 20.2mg/mL in DMSO
[form ]

Solid
[color ]

White to off-white
Hazard InformationBack Directory
[Uses]

Sibofimloc (Antibiotic-202) is a first-in-class, gut-restricted, orally active FimH adhesion inhibitor extracted from patent WO2014100158A1, Compound Example 202. Sibofimloc has anti-bacterial infective activity. Sibofimloc is developed for inflammatory bowel disease (IBD)[1][2].
[storage]

Store at -20°C
[References]

[1] Ramtohul, Yeeman K, et al. Preparation of mannose derivatives via coupling and click cycloaddition reactions for treating bacterial infections. From PCT Int. Appl. (2014), WO 2014100158 A1 20140626.
[2] W Reinisch, et al. P568 An open-label, multicenter, phase ib, pharmacokinetic (pk) and safety study of a fimh blocker, Sibofimloc (TAK-018/EB8018), in patients with Crohn’s disease (CD), Journal of Crohn's and Colitis, Volume 14, Issue Supplement_1, January 2020: S479–S480.
Spectrum DetailBack Directory
[Spectrum Detail]

VRT-1353385(1616113-45-1)1HNMR
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