CAS 1092540-51-6

1,14-Dimethyl (3S,8S,9S,12S)-3-(1,1-dimethylethyl)-12-[1,1-di(methyl-d3)ethyl-2,2,2-d3]-8-hydroxy-4,11-dioxo-9-(phenylmethyl)-6-[[4-(2-pyridinyl)phenyl]methyl]-2,5,6,10,13-pentaazatetradecanedioate

Description:

1,14-Dimethyl (3S,8S,9S,12S)-3-(1,1-dimethylethyl)-12-[1,1-di(methyl-d3)ethyl-2,2,2-d3]-8-hydroxy-4,11-dioxo-9-(phenylmethyl)-6-[[4-(2-pyridinyl)phenyl]methyl]-2,5,6,10,13-pentaazatetradecanedioate, with CAS number 1092540-51-6, is a complex organic compound characterized by its multi-functional groups and stereochemistry. This substance features a long carbon chain with multiple nitrogen atoms, indicating it is likely a polyamine derivative. The presence of hydroxyl and keto groups suggests potential reactivity and solubility in polar solvents. The compound also contains aromatic rings, which may contribute to its stability and interaction with biological systems. The specific stereochemistry (3S, 8S, 9S, 12S) indicates that it has defined spatial arrangements, which can significantly influence its biological activity and pharmacokinetics. Additionally, the presence of isotopic labeling (methyl-d3) suggests applications in tracer studies or metabolic research. Overall, this compound's intricate structure and functional groups may make it of interest in medicinal chemistry or biochemical applications.

Formula: C₃₈H₄₃D₉N₆O₇

InChI: InChI=1S/C38H52N6O7/c1-37(2,3)31(41-35(48)50-7)33(46)40-29(22-25-14-10-9-11-15-25)30(45)24-44(43-34(47)32(38(4,5)6)42-36(49)51-8)23-26-17-19-27(20-18-26)28-16-12-13-21-39-28/h9-21,29-32,45H,22-24H2,1-8H3,(H,40,46)(H,41,48)(H,42,49)(H,43,47)/t29-,30-,31+,32+/m0/s1/i1D3,2D3,3D3

InChI key: InChIKey=AXRYRYVKAWYZBR-HMLRVIJPSA-N

SMILES: N(CC1=CC=C(C=C1)C2=CC=CC=N2)(C[C@@H]([C@H](CC3=CC=CC=C3)NC([C@@H](NC(OC)=O)C(C([2H])([2H])[2H])(C([2H])([2H])[2H])C([2H])([2H])[2H])=O)O)NC([C@@H](NC(OC)=O)[C@@](C)(C)C)=O

Synonyms:

• 2,5,6,10,13-Pentaazatetradecanedioic acid, 3-(1,1-dimethylethyl)-12-[1,1-di(methyl-d3)ethyl-2,2,2-d3]-8-hydroxy-4,11-dioxo-9-(phenylmethyl)-6-[[4-(2-pyridinyl)phenyl]methyl]-, 1,14-dimethyl ester, (3S,8S,9S,12S)-
• 1,14-Dimethyl (3S,8S,9S,12S)-3-(1,1-dimethylethyl)-12-[1,1-di(methyl-d3)ethyl-2,2,2-d3]-8-hydroxy-4,11-dioxo-9-(phenylmethyl)-6-[[4-(2-pyridinyl)phenyl]methyl]-2,5,6,10,13-pentaazatetradecanedioate

Atazanavir-d9

Controlled Product

CAS: 1092540-51-6

Applications Atazanavir-d9 is the deuterated analog of Atazanavir (A790051), a azapeptide HIV protease inhibitor derivative. Atazanavir have been investigated as potential treatment of human immunodeficiency virus (HIV) and for anticancer purposes.
References Musial, B.L., et al.: Am. J. Health Syst. Pharm., 61, 1365 (2004), Wood, R., et al.: J. Acquir. Immune Defic. Syndr., 36, 684 (2004),

Formula: C₃₈₂H₁₅H₃₇N₆O₇

Color and Shape: Neat

Molecular weight: 719.95

Ref: TR-A790053

Atazanavir-d9

CAS: 1092540-51-6

Atazanavir-d9 is a research tool that is used to study protein interactions. It is an activator of the Ligand, Cell Biology, and Protein interactions. This product has a high purity and is a reagent for use in activation reactions. Atazanavir-d9 can be used as an inhibitor or as an ion channel blocker. It has CAS No. 1092540-51-6, which is the chemical name of this product.

Formula: C₃₈H₅₂N₆O₇

Purity: Min. 95%

Molecular weight: 713.9 g/mol

Ref: 3D-STB54051