CAS 1383816-29-2

2-[(3-endo)-3-[[5-Cyclopropyl-3-[2-(trifluoromethoxy)phenyl]-4-isoxazolyl]methoxy]-8-azabicyclo[3.2.1]oct-8-yl]-4-fluoro-6-benzothiazolecarboxylic acid

Description:

The chemical substance with the name "2-[(3-endo)-3-[[5-Cyclopropyl-3-[2-(trifluoromethoxy)phenyl]-4-isoxazolyl]methoxy]-8-azabicyclo[3.2.1]oct-8-yl]-4-fluoro-6-benzothiazolecarboxylic acid" and CAS number 1383816-29-2 is characterized by its complex molecular structure, which includes multiple functional groups and bicyclic systems. This compound features a bicyclic azabicyclo structure, indicating the presence of nitrogen in a cyclic arrangement, which may contribute to its biological activity. The presence of a benzothiazole moiety suggests potential interactions with biological targets, as benzothiazoles are known for their pharmacological properties. Additionally, the trifluoromethoxy group enhances lipophilicity and may influence the compound's solubility and permeability. The cyclopropyl group can also affect the compound's conformational flexibility and reactivity. Overall, this substance is likely to exhibit specific pharmacokinetic and pharmacodynamic properties, making it of interest in medicinal chemistry, particularly in the development of therapeutic agents. Further studies would be necessary to elucidate its biological activity and potential applications.

Formula: C₂₉H₂₅F₄N₃O₅S

InChI: InChI=1/C29H25F4N3O5S/c30-21-9-15(27(37)38)10-23-25(21)34-28(42-23)36-16-7-8-17(36)12-18(11-16)39-13-20-24(35-41-26(20)14-5-6-14)19-3-1-2-4-22(19)40-29(31,32)33/h1-4,9-10,14,16-18H,5-8,11-13H2,(H,37,38)/t16-,17+,18+

InChI key: InChIKey=VYLOOGHLKSNNEK-PIIMJCKONA-N

SMILES: O(CC=1C(=NOC1C2CC2)C3=C(OC(F)(F)F)C=CC=C3)[C@@H]4C[C@]5(N([C@@](C4)(CC5)[H])C6=NC=7C(S6)=CC(C(O)=O)=CC7F)[H]

Synonyms:

• LJN452
• Tropifexor
• LJN 452
• 6-Benzothiazolecarboxylic acid, 2-[(3-endo)-3-[[5-cyclopropyl-3-[2-(trifluoromethoxy)phenyl]-4-isoxazolyl]methoxy]-8-azabicyclo[3.2.1]oct-8-yl]-4-fluoro-
• 2-[(3-endo)-3-[[5-Cyclopropyl-3-[2-(trifluoromethoxy)phenyl]-4-isoxazolyl]methoxy]-8-azabicyclo[3.2.1]oct-8-yl]-4-fluoro-6-benzothiazolecarboxylic acid
• 2-[(1R,3r,5S)-3-({5-cyclopropyl-3-[2-(trifluoromethoxy)phenyl]-1,2-oxazol-4-yl}methoxy)-8-azabicyclo[3.2.1]octan-8-yl]-4-fluoro-1,3-benzothiazole-6-carboxylic acid
• LJN-452

Tropifexor

CAS: 1383816-29-2

Formula: C₂₉H₂₅F₄N₃O₅S

Purity: 98%

Color and Shape: Solid

Molecular weight: 603.5845

Ref: IN-DA01DQAV

Tropifexor

CAS: 1383816-29-2

Tropifexor

Purity: ≥98%

Molecular weight: 603.58g/mol

Ref: 54-BUP12835

Rel-2-((1R,3R,5S)-3-((5-Cyclopropyl-3-(2-(Trifluoromethoxy)Phenyl)Isoxazol-4-Yl)Methoxy)-8-Azabicyclo[3.2.1]Octan-8-Yl)-4-Fluorobenzo[D]Thiazole-6-Carboxylic Acid

CAS: 1383816-29-2

Rel-2-((1R,3R,5S)-3-((5-Cyclopropyl-3-(2-(Trifluoromethoxy)Phenyl)Isoxazol-4-Yl)Methoxy)-8-Azabicyclo[3.2.1]Octan-8-Yl)-4-Fluorobenzo[D]Thiazole-6-Carboxylic Acid

Purity: 98%

Molecular weight: 603.58g/mol

Ref: 54-PC108510

Tropifexor

CAS: 1383816-29-2

Tropifexor (LJN452) is a novel and highly potent agonist of FXR with an EC50 of 0.2 nM.

Formula: C₂₉H₂₅F₄N₃O₅S

Purity: 99.3% - 99.85%

Color and Shape: Solid

Molecular weight: 603.58

Ref: TM-T4379

Tropifexor

CAS: 1383816-29-2

Tropifexor is a small molecule that inhibits the replication of human pathogens by binding to DNA and inhibiting DNA synthesis. It has been shown to inhibit the growth of a broad range of human pathogens, including Mycobacterium tuberculosis, Mycobacterium avium complex, Staphylococcus aureus, Streptococcus pneumoniae, and Salmonella enterica. Tropifexor has also been shown to reduce liver steatosis in mice and to increase mitochondrial membrane potential in cultured cells. Tropifexor is not genotoxic and does not cause metabolic disorders in animals. Tropifexor is an inhibitor of glucagon-like peptide-1 receptor agonists (GLP-1R).

Formula: C₂₉H₂₅F₄N₃O₅S

Purity: Min. 95%

Molecular weight: 603.59 g/mol

Ref: 3D-BT166810