CAS 1392809-08-3

4-(1-(2-chloro-6-(trifluoromethyl)benzoyl)-1H-indazol-3-yl)benzoic acid

Description:

4-(1-(2-chloro-6-(trifluoromethyl)benzoyl)-1H-indazol-3-yl)benzoic acid is a synthetic organic compound characterized by its complex structure, which includes an indazole moiety and a benzoic acid functional group. This compound features a chloro substituent and a trifluoromethyl group on the aromatic ring, contributing to its unique chemical properties. The presence of these functional groups often enhances the compound's lipophilicity and may influence its biological activity. The compound is likely to exhibit moderate solubility in organic solvents and limited solubility in water due to its hydrophobic characteristics. Its molecular structure suggests potential applications in medicinal chemistry, particularly in the development of pharmaceuticals, as compounds with similar structures are often investigated for their biological activities, including anti-inflammatory or anticancer properties. Additionally, the presence of halogen atoms can affect the compound's reactivity and stability, making it a subject of interest in various chemical research fields.

Formula: C₂₂H₁₂ClF₃N₂O₃

InChI: InChI=1S/C22H12ClF3N2O3/c23-16-6-3-5-15(22(24,25)26)18(16)20(29)28-17-7-2-1-4-14(17)19(27-28)12-8-10-13(11-9-12)21(30)31/h1-11H,(H,30,31)

InChI key: DANLZOIRUUHIIX-UHFFFAOYSA-N

SMILES: C1=CC=C2C(=C1)C(=NN2C(=O)C3=C(C=CC=C3Cl)C(F)(F)F)C4=CC=C(C=C4)C(=O)O

Synonyms:

• 4-(1-(2-chloro-6-(trifluoromethyl)benzoyl)-1H-indazol-3-yl)benzoic acid
• Benzoic acid, 4-[1-[2-chloro-6-(trifluoromethyl)benzoyl]-1H-indazol-3-yl]-

MRL-871

CAS: 1392809-08-3

MRL-871

Formula: C₂₂H₁₂ClF₃N₂O₃

Purity: ≥98%

Molecular weight: 444.79

Ref: 54-BUP21433

4-(1-(2-Chloro-6-(trifluoromethyl)benzoyl)-1H-indazol-3-yl)benzoic acid

CAS: 1392809-08-3

Formula: C₂₂H₁₂ClF₃N₂O₃

Purity: 99.66%

Color and Shape: Solid

Molecular weight: 444.7905

Ref: IN-DA001AO0

MRL-871

CAS: 1392809-08-3

4-(1-(2-Chloro-6-(trifluoromethyl)benzoyl)-1H-indazol-3-yl)benzoic acid

Formula: C₂₂H₁₂ClF₃N₂O₃

Purity: 98%

Molecular weight: 444.79

Ref: IN-DG01293859

MRL-871

Controlled Product

CAS: 1392809-08-3

Applications MRL-871 is a novel RORγt inhibitor, binding to a previously unidentified allosteric pocket in the RORγt LBD.
References Scheepstra, Marcel., et al.:Nat. Commun., 6, 8833/1 (2015); Fauber, Benjamin P., et al.: Bioorganic Med. Chem. Lett., 25, 2907 (2015);

Formula: C₂₂H₁₂ClF₃N₂O₃

Color and Shape: Neat

Molecular weight: 444.79

Ref: TR-M750230

MRL-871

CAS: 1392809-08-3

MRL-871 is a peptide that activates the receptor for the protein CXCR4, which is a chemokine receptor. It binds to the receptor and induces its dimerization, changing the conformation of the receptor and increasing the affinity for its ligands. The MRL-871 peptide has been shown to inhibit HIV replication in vitro by binding to CXCR4 on CD4+ T cells.

Formula: C₂₂H₁₂ClF₃N₂O₃

Purity: Min. 95%

Molecular weight: 444.8 g/mol

Ref: 3D-SFC80908

MRL-871

CAS: 1392809-08-3

MRL-871 is a selective RORγt allosteric inhibitor, reducing IL-17a mRNA production in EL4 cells, interacting with PPARgamma in partial agonistic binding modes.

Formula: C₂₂H₁₂ClF₃N₂O₃

Purity: 99.66%

Color and Shape: Solid

Molecular weight: 444.79

Ref: TM-T62622