CAS 176655-56-4

5-Thiazolylmethyl (3S,4S,6S,9S)-4-hydroxy-13-[2-(1-hydroxy-1-methylethyl)-4-thiazolyl]-12-methyl-9-(1-methylethyl)-8,11-dioxo-3,6-bis(phenylmethyl)-2,7,10,12-tetraazatridecanoate

Description:

5-Thiazolylmethyl (3S,4S,6S,9S)-4-hydroxy-13-[2-(1-hydroxy-1-methylethyl)-4-thiazolyl]-12-methyl-9-(1-methylethyl)-8,11-dioxo-3,6-bis(phenylmethyl)-2,7,10,12-tetraazatridecanoate, with CAS number 176655-56-4, is a complex organic compound characterized by its multi-functional groups and a unique thiazole moiety. This substance features a tetraazatridecanoate backbone, indicating the presence of multiple nitrogen atoms within its structure, which contributes to its potential biological activity. The compound also contains hydroxy and dioxo functional groups, which may enhance its reactivity and solubility in various solvents. The presence of phenylmethyl groups suggests potential interactions with biological targets, making it of interest in medicinal chemistry. Its stereochemistry, indicated by the (3S,4S,6S,9S) configuration, implies specific spatial arrangements that could influence its pharmacological properties. Overall, this compound's intricate structure and functional diversity position it as a candidate for further research in drug development and therapeutic applications.

Formula: C₃₇H₄₈N₆O₆S₂

InChI: InChI=1S/C37H48N6O6S2/c1-24(2)32(42-35(46)43(5)20-28-22-50-34(40-28)37(3,4)48)33(45)39-27(16-25-12-8-6-9-13-25)18-31(44)30(17-26-14-10-7-11-15-26)41-36(47)49-21-29-19-38-23-51-29/h6-15,19,22-24,27,30-32,44,48H,16-18,20-21H2,1-5H3,(H,39,45)(H,41,47)(H,42,46)/t27-,30-,31-,32-/m0/s1

InChI key: InChIKey=CLEDZMPJHBBTNZ-QJANCWQKSA-N

SMILES: [C@H](CC1=CC=CC=C1)(C[C@@H]([C@H](CC2=CC=CC=C2)NC(OCC3=CN=CS3)=O)O)NC([C@@H](NC(N(CC=4N=C(C(C)(C)O)SC4)C)=O)[C@H](C)C)=O

Synonyms:

• 2,4,7,12-Tetraazatridecan-13-oic acid, 10-hydroxy-1-[2-(1-hydroxy-1-methylethyl)-4-thiazolyl]-2-methyl-5-(1-methylethyl)-3,6-dioxo-8,11-bis(phenylmethyl)-, 5-thiazolylmethyl ester, [5S-(5R*,8R*,10R*,11R*)]-
• 2,7,10,12-Tetraazatridecanoic acid, 4-hydroxy-13-[2-(1-hydroxy-1-methylethyl)-4-thiazolyl]-12-methyl-9-(1-methylethyl)-8,11-dioxo-3,6-bis(phenylmethyl)-, 5-thiazolylmethyl ester, (3S,4S,6S,9S)-
• 5-Thiazolylmethyl (3S,4S,6S,9S)-4-hydroxy-13-[2-(1-hydroxy-1-methylethyl)-4-thiazolyl]-12-methyl-9-(1-methylethyl)-8,11-dioxo-3,6-bis(phenylmethyl)-2,7,10,12-tetraazatridecanoate

Hydroxy ritonavir

CAS: 176655-56-4

Hydroxy ritonavir

Purity: ≥95%

Molecular weight: 736.94g/mol

Ref: 54-OR1075456

Ritonavir EP Impurity E (Hydroxy Ritonavir)

CAS: 176655-56-4

Formula: C₃₇H₄₈N₆O₆S₂

Color and Shape: Pale Yellow Solid

Molecular weight: 736.95

Ref: 4Z-R-274

Hydroxy ritonavir

CAS: 176655-56-4

Hydroxy ritonavir, a metabolite of ritonavir, functions as an inhibitor of the HIV protease, thereby serving as a treatment for HIV infection and AIDS [1].

Formula: C₃₇H₄₈N₆O₆S₂

Color and Shape: Solid

Molecular weight: 736.94

Ref: TM-T74106

Hydroxy Ritonavir

Controlled Product

CAS: 176655-56-4

Impurity Ritonavir EP Impurity E
Applications Hydroxy Ritonavir (Ritonavir EP Impurity E) is a metabolite of Ritonavir (R535000), HIV-1 protease inhibitor. It is a COVID19-related research product.
References Eagling, V., et al.: Br. J. Clin. Pharmacol., 48, 543 (1999), Eagling, V., et al.: Xenobiotica, 32, 1 (2002), Meaden, E., et al.: J. Antimicrob. Chemother., 50, 583 (2002), Treijtel, N., et al.: Drug Metab. Dispos., 33, 1325 (2005),

Formula: C₃₇H₄₈N₆O₆S₂

Color and Shape: Neat

Molecular weight: 736.94

Ref: TR-H953390

Ritonavir EP Impurity E

CAS: 176655-56-4

Formula: C₃₇H₄₈N₆O₆S₂

Molecular weight: 736.95

Ref: ST-EA-CP-R16005

Hydroxy ritonavir

CAS: 176655-56-4

Purity: 98%

Molecular weight: 736.95

Ref: 10-F987402