Isomigrastatin

Isomigrastatin is an analogue of migrastatin, an organic compound that naturally occurs in the Streptomyces platensis bacteria. Isomigrastatin has shown promise as a drug in the treatment of cancer. A laboratory synthesis was reported in 2007.[1]

Isomigrastatin

Names
IUPAC name 4-[7-(4-Hydroxy-5-methoxy-3-methyl-12-oxo-oxacyclododeca-6,10-dien-2-yl)-5-methyl-4-oxo-oct-6-enyl]-piperidine-2,6-dione
Identifiers
CAS Number	415952-70-4
3D model (JSmol)	Interactive image
ChEBI	CHEBI:80125
ChEMBL	ChEMBL1221912
ChemSpider	13083250
PubChem CID	15940571
CompTox Dashboard (EPA)	DTXSID30904042
InChI InChI=1S/C27H39NO7/c1-17(21(29)11-9-10-20-15-23(30)28-24(31)16-20)14-18(2)27-19(3)26(33)22(34-4)12-7-5-6-8-13-25(32)35-27/h7-8,12-14,17,19-20,22,26-27,33H,5-6,9-11,15-16H2,1-4H3,(H,28,30,31)/b12-7+,13-8+,18-14+/t17-,19-,22-,26-,27-/m0/s1 Key: TYTDEHCAAKKYOG-FEJRZXFSSA-N InChI=1/C27H39NO7/c1-17(21(29)11-9-10-20-15-23(30)28-24(31)16-20)14-18(2)27-19(3)26(33)22(34-4)12-7-5-6-8-13-25(32)35-27/h7-8,12-14,17,19-20,22,26-27,33H,5-6,9-11,15-16H2,1-4H3,(H,28,30,31)/b12-7+,13-8+,18-14+/t17-,19-,22-,26-,27-/m0/s1 Key: TYTDEHCAAKKYOG-FEJRZXFSBC
SMILES C[C@H]([C@H](/[C@@](C)=C/[C@@H](C(CCCC2CC(NC(C2)=O)=O)=O)C)O1)[C@H](O)[C@@H](OC)/C=C/CC/C=C/C1=O
Properties
Chemical formula	C27H39NO7
Molar mass	489.60 g/mol
Except where otherwise noted, data are given for materials in their standard state (at 25 °C [77 °F], 100 kPa).
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Infobox references

References

1. Krauss, IJ; et al. (2007). "Total Synthesis of (+)-Isomigrastatin". Angewandte Chemie. 46 (29): 5576–5579. doi:10.1002/anie.200701837. PMID 17583888.