Aplysamine-2

Aplysamine-2
Names
	Preferred IUPAC name (2Z)-3-(3-Bromo-4-methoxyphenyl)-N-(2-{3,5-dibromo-4-[3-(dimethylamino)propoxy]phenyl}ethyl)-2-(hydroxyimino)propanamide
Identifiers
CAS Number	172486-24-7 [EPA];
3D model (JSmol)	Interactive image;
ChEMBL	ChEMBL465038;
ChemSpider	4919384;
PubChem CID	6411696;
CompTox Dashboard (EPA)	DTXSID401317884 ;
	InChI InChI=1S/C23H28Br3N3O4/c1-29(2)9-4-10-33-22-18(25)12-16(13-19(22)26)7-8-27-23(30)20(28-31)14-15-5-6-21(32-3)17(24)11-15/h5-6,11-13,31H,4,7-10,14H2,1-3H3,(H,27,30)/b28-20- Key: RCOAHKXJTMBQLI-RRAHZORUSA-N; InChI=1/C23H28Br3N3O4/c1-29(2)9-4-10-33-22-18(25)12-16(13-19(22)26)7-8-27-23(30)20(28-31)14-15-5-6-21(32-3)17(24)11-15/h5-6,11-13,31H,4,7-10,14H2,1-3H3,(H,27,30)/b28-20- Key: RCOAHKXJTMBQLI-RRAHZORUBY;
	SMILES CN(C)CCCOC1=C(C=C(C=C1Br)CCNC(=O)/C(=N\O)/CC2=CC(=C(C=C2)OC)Br)Br;
Properties
Chemical formula	C23H28Br3N3O4
Molar mass	650.198
	Except where otherwise noted, data are given for materials in their standard state (at 25 °C [77 °F], 100 kPa). Infobox references

Aplysamine-2 is a bio-active isolate of marine sponge.^[1]

References

^ Kottakota, SK; Evangelopoulos, D; Alnimr, A; Bhakta, S; McHugh, TD; Gray, M; Groundwater, PW; Marrs, EC; Perry, JD; Spilling, CD; Harburn, JJ (2012). "Synthesis and biological evaluation of purpurealidin E-derived marine sponge metabolites: aplysamine-2, aplyzanzine A, and suberedamines A and B". J Nat Prod. 75 (6): 1090–101. doi:10.1021/np300102z. PMID 22620987.

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