CAS 259886-51-6 | CUCURBIT(8)URIL

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Common Name	CUCURBIT(8)URIL
CAS Number	259886-51-6	Molecular Weight	1329.10
Density	2.71	Boiling Point	/
Molecular Formula	C₄₈H₄₈N₃₂O₁₆	Melting Point	/
MSDS	/	Flash Point	/

Names

Name	cucurbit[8]uril
Synonym	More Synonyms

CUCURBIT(8)URIL BiologicalActivity

Description	Cucurbit[8]uril is a potent, low toxicity and orally active supramolecular inducer of protein heterodimerization. Cucurbit[8]uril induces heterodimerization of methylviologen and naphthalene functionalized proteins. Cucurbit[8]uril can induce energy transfer [1][2].
Related Catalog	Research Areas >>OthersSignaling Pathways >>Others >>Others
Target	Protein Heterodimerization[1]
In Vitro	Cucurbit[8]uril (0~20 μM; 48 hours; CHO-K1 cells) makes the relative cell viability dropped marginally to 86%[2]. Cucurbit[8]uril indeed selectively induces the heterodimerization of MV–eYFP with Np–eCFP. Cucurbit[8]uril-induced high energy transfer between the proteins is only observed in the presence of all three supramolecular components, allowing the formation of the ternary complex. In the presence of Cucurbit[8]uril, the unspecific protein assembly induced by the methylviologen is inhibited. The ternary system of Cucurbit[8]uril with methylviologen (MV) and naphthalene (NP) can also be successfully used for the formation of selective protein heterodimers of more hydrophobic proteins. The presence of Cucurbit[8]uril as a host molecule is required to prevent MV induced unspecific dimerization with hydrophobic protein surfaces[1]. Cell Viability Assay[1] Cell Line: CHO-K1 cells Concentration: 0~20 μM Incubation Time: 48 hours Result: At the highest investigated concentration of 20 μM after 48 h, the relative cell viability dropped marginally to 86%.
In Vivo	Cucurbit[8]uril shows a very low toxicity of the in vivo intravenous injection, as well as oral administration studies on mice[2].
References	[1]. Uhlenheuer DA, et al. Cucurbit[8]uril induced heterodimerization of methylviologen and naphthalene functionalized proteins. Chem Commun (Camb). 2011;47(24):6798-6800. [2]. Uzunova VD, et al. Toxicity of cucurbit[7]uril and cucurbit[8]uril: an exploratory in vitro and in vivo study. Org Biomol Chem. 2010;8(9):2037-2042.

Chemical & Physical Properties

Density	2.71
Molecular Formula	C₄₈H₄₈N₃₂O₁₆
Molecular Weight	1329.10
Exact Mass	1328.39000
PSA	376.80000
Appearance of Characters	solid \| white
InChIKey	CONWISUOKHSUDR-UHFFFAOYSA-N
SMILES	O=C1N2CN3C(=O)N4CN5C(=O)N6CN7C(=O)N8CN9C(=O)N%10CN%11C(=O)N%12CN%13C(=O)N%14CN%15C(=O)N%16CN1C1C2N2CN%17C(=O)N(CN%18C(=O)N(CN%19C(=O)N(CN%20C(=O)N(CN%21C(=O)N(CN%22C(=O)N(CN%23C(=O)N(CN1C2=O)C%16C%15%23)C%14C%13%22)C%12C%11%21)C%10C9%20)C8C7%19)C6C5%18)C4C3%17

Safety Information

WGK Germany	3

Synonyms

CB8

Q[8]

curcurbit[8]uril

MFCD03456501

cucurbituril[8]

CB[8]

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