CAS 1332714-01-8

α-D-Glucopyranose, 2-deoxy-6-O-[2-deoxy-2-[[(3R)-1-oxo-3-[(1-oxododecyl)oxy]tetradecyl]amino]-3-O-[(3R)-1-oxo-3-[(1-oxotetradecyl)oxy]tetradecyl]-4-O-phosphono-β-D-glucopyranosyl]-2-[[(3R)-3-hydroxy-1-oxotetradecyl]amino]-, 3-[(3R)-3-hydroxytetradecanoate], ammonium salt (1:1)

Description:

The chemical substance α-D-Glucopyranose, 2-deoxy-6-O-[2-deoxy-2-[[(3R)-1-oxo-3-[(1-oxododecyl)oxy]tetradecyl]amino]-3-O-[(3R)-1-oxo-3-[(1-oxotetradecyl)oxy]tetradecyl]-4-O-phosphono-β-D-glucopyranosyl]-2-[[(3R)-3-hydroxy-1-oxotetradecyl]amino]-, 3-[(3R)-3-hydroxytetradecanoate], ammonium salt (1:1) is a complex glycosylated compound characterized by its structural components, which include a glucopyranose moiety, multiple long-chain fatty acid derivatives, and phosphonate groups. This compound features a deoxy modification at the 2-position of the glucopyranose ring, which enhances its biological activity and stability. The presence of multiple amino and hydroxyl groups suggests potential interactions with biological membranes and proteins, making it of interest in pharmaceutical and biochemical applications. Its ammonium salt form indicates solubility in aqueous environments, which is advantageous for biological studies. The intricate structure implies potential roles in cellular signaling or as a drug delivery system, particularly in targeting specific cells or tissues due to the fatty acid chains. Overall, this compound exemplifies the complexity and functionality of glycosylated molecules in biochemistry.

Formula: C₉₄H₁₇₇N₂O₂₂P·H₃N

InChI: InChI=1S/C94H177N2O22P.H3N/c1-7-13-19-25-31-37-38-44-50-56-62-68-84(103)113-78(66-60-54-48-42-35-29-23-17-11-5)72-86(105)117-92-88(96-82(101)71-77(65-59-53-47-41-34-28-22-16-10-4)112-83(102)67-61-55-49-43-36-30-24-18-12-6)94(115-79(73-97)90(92)118-119(108,109)110)111-74-80-89(106)91(116-85(104)70-76(99)64-58-52-46-40-33-27-21-15-9-3)87(93(107)114-80)95-81(100)69-75(98)63-57-51-45-39-32-26-20-14-8-2;/h75-80,87-94,97-99,106-107H,7-74H2,1-6H3,(H,95,100)(H,96,101)(H2,108,109,110);1H3/t75-,76-,77-,78-,79-,80-,87-,88-,89-,90-,91-,92-,93+,94-;/m1./s1

InChI key: InChIKey=CYRPJUBABDDIFR-ADEWMWGLSA-N

SMILES: N(C(C[C@H](OC(CCCCCCCCCCC)=O)CCCCCCCCCCC)=O)[C@@H]1[C@@H](OC(C[C@H](OC(CCCCCCCCCCCCC)=O)CCCCCCCCCCC)=O)[C@H](OP(=O)(O)O)[C@@H](CO)O[C@H]1OC[C@@H]2[C@@H](O)[C@H](OC(C[C@@H](CCCCCCCCCCC)O)=O)[C@@H](NC(C[C@@H](CCCCCCCCCCC)O)=O)[C@@H](O)O2.N

Synonyms:

• α-D-Glucopyranose, 2-deoxy-6-O-[2-deoxy-2-[[(3R)-1-oxo-3-[(1-oxododecyl)oxy]tetradecyl]amino]-3-O-[(3R)-1-oxo-3-[(1-oxotetradecyl)oxy]tetradecyl]-4-O-phosphono-β-D-glucopyranosyl]-2-[[(3R)-3-hydroxy-1-oxotetradecyl]amino]-, 3-[(3R)-3-hydroxytetradecanoate], ammonium salt (1:1)

PHAD-504

CAS: 1332714-01-8

PHAD-504 is an immunologically active synthetic molecule containing a fatty acid amide, which has been shown to enhance the antibody response. PHAD-504 contains two isomers, one of which is expressed in the mammalian system and the other in E. coli. The molecule has been shown to be both safe and effective as a vaccine adjuvant in animal studies.

Formula: C₉₄H₁₈₀N₃O₂₂P

Purity: Min. 95%

Molecular weight: 1,735.42 g/mol

Ref: 3D-HDC71401