CAS 1044535-52-5

(4bS,7R,8aR)-4b,5,6,7,8,8a,9,10-Octahydro-7-hydroxy-N-(2-methyl-3-pyridinyl)-4b-(phenylmethyl)-7-(trifluoromethyl)-2-phenanthrenecarboxamide

Description:

The chemical substance with the name "(4bS,7R,8aR)-4b,5,6,7,8,8a,9,10-Octahydro-7-hydroxy-N-(2-methyl-3-pyridinyl)-4b-(phenylmethyl)-7-(trifluoromethyl)-2-phenanthrenecarboxamide" and CAS number "1044535-52-5" is a complex organic compound characterized by its multi-ring structure, which includes a phenanthrene core. This compound features several functional groups, including a hydroxyl group, a trifluoromethyl group, and a pyridine moiety, contributing to its potential biological activity. The stereochemistry indicated by the specific configuration at various chiral centers suggests that the compound may exhibit unique interactions with biological targets, possibly influencing its pharmacological properties. The presence of the trifluoromethyl group often enhances lipophilicity and metabolic stability, while the hydroxyl group may participate in hydrogen bonding, affecting solubility and reactivity. Overall, this compound's intricate structure and functional groups suggest it could be of interest in medicinal chemistry, particularly in the development of therapeutic agents.

Formula: C₂₉H₂₉F₃N₂O₂

InChI: InChI=1S/C29H29F3N2O2/c1-19-25(8-5-15-33-19)34-26(35)22-10-12-24-21(16-22)9-11-23-18-28(36,29(30,31)32)14-13-27(23,24)17-20-6-3-2-4-7-20/h2-8,10,12,15-16,23,36H,9,11,13-14,17-18H2,1H3,(H,34,35)/t23-,27+,28-/m1/s1

InChI key: InChIKey=QJJBNCHSWFGXML-KEKPKEOLSA-N

SMILES: C([C@]12C=3C(=CC(C(NC4=C(C)N=CC=C4)=O)=CC3)CC[C@@]1(C[C@]([C@@](F)(F)F)(O)CC2)[H])C5=CC=CC=C5

Synonyms:

• PF 0251802
• 2-Phenanthrenecarboxamide, 4b,5,6,7,8,8a,9,10-octahydro-7-hydroxy-N-(2-methyl-3-pyridinyl)-4b-(phenylmethyl)-7-(trifluoromethyl)-, (4bS,7R,8aR)-
• Dagrocorat
• PF 00251802
• (4bS,7R,8aR)-4b,5,6,7,8,8a,9,10-Octahydro-7-hydroxy-N-(2-methyl-3-pyridinyl)-4b-(phenylmethyl)-7-(trifluoromethyl)-2-phenanthrenecarboxamide

Dagrocorat

Controlled Product

CAS: 1044535-52-5

Formula: C₂₉H₂₉F₃N₂O₂

Color and Shape: Neat

Molecular weight: 494.548

Ref: TR-D895630

Dagrocorat

CAS: 1044535-52-5

Dagrocorat is a new drug that belongs to the class of immunosuppressive drugs. It has been shown to be effective in treating infectious diseases, including HIV and tuberculosis. Dagrocorat binds to the FKBP-12 protein, which is an immunophilin that regulates cellular functions by binding to specific proteins. This binding prevents the activation of proinflammatory cytokines such as IL-1β and TNF-α, which are produced by macrophages. Dagrocorat also inhibits the production of inflammatory mediators such as prostaglandins and leukotrienes, which are involved in allergic reactions. Dagrocorat has been shown to have pharmacokinetic interactions with other drugs such as statins and growth factors, which may increase its efficacy or cause adverse effects.

Formula: C₂₉H₂₉F₃N₂O₂

Purity: Min. 95%

Molecular weight: 494.5 g/mol

Ref: 3D-URB53552

Dagrocorat

CAS: 1044535-52-5

Dagrocorat is a novel and dissociated agonist of glucocorticoid receptor.

Formula: C₂₉H₂₉F₃N₂O₂

Purity: 98%

Color and Shape: Solid

Molecular weight: 494.55

Ref: TM-T15048