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16:0 DBCO PE Ammonium salt

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Category	Click Reagents
Catalog NO.	BPG-3025
Product Name	16:0 DBCO PE Ammonium salt
CAS	2260670-42-4
Molecular Formula	C56H90N3O10P
Molecular Weight	996.30

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Description	16:0 DBCO PE Ammonium salt, a phospholipid derivative meticulously synthesized, plays a pivotal role in cutting-edge drug delivery systems catered towards a myriad of diseases. Its specialized mechanism honed towards selective drug delivery to cancer cells positions it as an invaluable asset in the realm of cancer therapeutics.
Synonyms	1,2-dipalmitoyl-sn-glycero-3-phosphoethanolamine-N-dibenzocyclooctyl; Ammonium (2R)-2,3-bis(palmitoyloxy)propyl 2-{[4-(11,12-didehydrodibenzo[b,f]azocin-5(6H)-yl)-4-oxobutanoyl]amino}ethyl phosphate; Hexadecanoic acid, (1R)-1-[[[[2-[[4-(11,12-didehydrodibenz[b,f]azocin-5(6H)-yl)-1,4-dioxobutyl]amino]ethoxy]hydroxyphosphinyl]oxy]methyl]-1,2-ethanediyl ester, ammonium salt
IUPAC Name	azanium;2-[[4-(2-azatricyclo[10.4.0.04,9]hexadeca-1(16),4,6,8,12,14-hexaen-10-yn-2-yl)-4-oxobutanoyl]amino]ethyl [(2R)-2,3-di(hexadecanoyloxy)propyl] phosphate
Canonical SMILES	CCCCCCCCCCCCCCCC(=O)OCC(COP(=O)([O-])OCCNC(=O)CCC(=O)N1CC2=CC=CC=C2C#CC3=CC=CC=C31)OC(=O)CCCCCCCCCCCCCCC.[NH4+]
InChI	InChI=1S/C56H87N2O10P.H3N/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-37-55(61)65-46-51(68-56(62)38-28-26-24-22-20-18-16-14-12-10-8-6-4-2)47-67-69(63,64)66-44-43-57-53(59)41-42-54(60)58-45-50-35-30-29-33-48(50)39-40-49-34-31-32-36-52(49)58;/h29-36,51H,3-28,37-38,41-47H2,1-2H3,(H,57,59)(H,63,64);1H3/t51-;/m1./s1
InChIKey	VMNQBMCGXSXSJG-GLOFXQGCSA-N
Purity	>99%
Solubility	Soluble in Chloroform, Methanol, Ammonium Hydroxide
Appearance	White Powder
Shelf Life	1 Year
Storage	Store at -20°C
Exact Mass	995.636
Hygroscopic	No
Light Sensitive	No
Percent Composition	C 67.51%, H 9.11%, N 4.22%, O 16.06%, P 3.11%

References

1. Mayer SF, Ducrey J, Dupasquier J, Haeni L, Rothen-Rutishauser B, Yang J, Fennouri A, Mayer M. Targeting specific membranes with an azide derivative of the pore-forming peptide ceratotoxin A. Biochim Biophys Acta Biomembr. 2019 Oct 1;1861(10):183023. doi: 10.1016/j.bbamem.2019.07.011. Epub 2019 Jul 17. PubMed ID: 31325418.

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