ChemicalBook--->CAS DataBase List--->72263-05-9

72263-05-9

72263-05-9 Structure

72263-05-9 Structure
IdentificationBack Directory
[Name]

CONGLOBATIN
[CAS]

72263-05-9
[Synonyms]

FW-04-806
CONGLOBATIN
Conglobatin, >=99%
(3E,5R,7S,8S,11E,13R,15S,16S)-3,5,7,11,13,15-Hexamethyl-8,16-bis(5-oxazolylmethyl)-1,9-dioxacyclohexadeca-3,11-diene-2,10-dione
1,9-Dioxacyclohexadeca-3,11-diene-2,10-dione, 3,5,7,11,13,15-hexamethyl-8,16-bis(5-oxazolylmethyl)-, (3E,5R,7S,8S,11E,13R,15S,16S)-
[Molecular Formula]

C28H38N2O6
[MDL Number]

MFCD01730317
[MOL File]

72263-05-9.mol
[Molecular Weight]

498.61
Chemical PropertiesBack Directory
[density ]

1.060±0.06 g/cm3 (20 ºC 760 Torr)
[storage temp. ]

-20°C
[solubility ]

DMF: soluble; DMSO: soluble; Ethanol: soluble; Methanol: soluble
[form ]

White to off-white solid.
[color ]

White to off-white
[Major Application]

metabolomics
vitamins, nutraceuticals, and natural products
[InChIKey]

LAJRJVDLKYGLOO-BWBKOITMSA-N
[SMILES]

n1c[o]c(c1)CC2OC(=O)\C(=C\[C@@H](C[C@@H](C(OC(=O)\C(=C\[C@@H](C[C@@H]2C)C)\C)Cc3[o]cnc3)C)C)\C
Safety DataBack Directory
[WGK Germany ]

3
[HS Code ]

29419000
[Storage Class]

11 - Combustible Solids
Hazard InformationBack Directory
[Uses]

Isolated from Streptomyces conglobatus, conglobatin has a unusual, dimeric, macrolide dilactone structure with pendant oxazole groups. Conglobatin exhibits an IC50 of 0.63 μg/ml in a NFAT-dependant transcription assay. No toxicity was observed at doses up to 1000 mg/kg when administered to mice either orally or interperitoneally.
[in vivo]

Conglobatin (50-200 mg/kg; i.g. q3d for 24 d) inhibits the tumor growth of SKBR3 and MCF-7 human breast cancer xenograft models in a dose-dependent manner[2].
Conglobatin (4-8 mg/kg; i.p. daily for 21 days) inhibits tumor growth in EC109 and KYSE510 tumor xenograft models with low toxicity[3]

Animal Model:BALB/c (nu/nu) athymic mice with SKBR3 and MCF-7 tumor xenograft[2]
Dosage:50, 100, 200 mg/kg
Administration:Oral gavage every 3 days for 24 days
Result:Showed inhibition of tumor growth at a rate of 39.1%, 52.7%, and 67.5% in the SKBR3 cell line groups and 27.3%, 39.8%, 54.3% in the MCF-7 cell line groups at the three increasing doses, respectively.
Was well tolerated.
[IC 50]

HSP90
[storage]

Store at -20°C
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