For research use only. Not for therapeutic Use.
Tylvalosin-d9(Cat No.:S000510) is a deuterated form of tylvalosin, where nine hydrogen atoms are replaced with deuterium. Tylvalosin is a macrolide antibiotic used primarily in veterinary medicine to treat respiratory infections in livestock and poultry, such as pigs and chickens. It is effective against various bacterial pathogens and is known for its potent anti-inflammatory properties. Introducing deuterium in Tylvalosin-d9 increases the molecule’s metabolic stability, facilitating more precise pharmacokinetic and metabolic studies.
Catalog Number | S000510 |
Molecular Formula | C53H78D9NO19 |
Purity | ≥95% |
Target | NF-κB |
IUPAC Name | [(2S,3S,4R,6S)-6-[(2R,3S,4R,5R,6R)-6-[[(4R,5S,6S,7R,9R,11E,13E,15R,16R)-4-acetyloxy-16-ethyl-15-[[(2R,3R,4R,5R,6R)-5-hydroxy-3,4-dimethoxy-6-methyloxan-2-yl]oxymethyl]-5,9,13-trimethyl-2,10-dioxo-7-(2-oxoethyl)-1-oxacyclohexadeca-11,13-dien-6-yl]oxy]-4-(dimethylamino)-5-hydroxy-2-methyloxan-3-yl]oxy-4-hydroxy-2,4-dimethyloxan-3-yl] 2,2,3,4,4,4-hexadeuterio-3-(trideuteriomethyl)butanoate |
InChI | InChI=1S/C53H87NO19/c1-16-38-36(26-65-52-49(64-15)48(63-14)44(60)31(7)67-52)22-28(4)17-18-37(57)29(5)23-35(19-20-55)46(30(6)39(69-34(10)56)24-41(59)70-38)73-51-45(61)43(54(12)13)47(32(8)68-51)72-42-25-53(11,62)50(33(9)66-42)71-40(58)21-27(2)3/h17-18,20,22,27,29-33,35-36,38-39,42-52,60-62H,16,19,21,23-26H2,1-15H3/b18-17+,28-22+/t29-,30+,31-,32-,33+,35+,36-,38-,39-,42+,43-,44-,45-,46-,47-,48-,49-,50+,51+,52-,53-/m1/s1/i2D3,3D3,21D2,27D |
InChIKey | KCJJINQANFZSAM-QURGQPIDSA-N |
SMILES | CCC1C(C=C(C=CC(=O)C(CC(C(C(C(CC(=O)O1)OC(=O)C)C)OC2C(C(C(C(O2)C)OC3CC(C(C(O3)C)OC(=O)CC(C)C)(C)O)N(C)C)O)CC=O)C)C)COC4C(C(C(C(O4)C)O)OC)OC |