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Chemical structure of MRL-871

GC69496

MRL-871

Also known as 4-[1-[2-chloro-6-(trifluoromethyl)benzoyl]indazol-3-yl]benzoic acid

MRL-871 (compound 3) is an effective inverse agonist of retinoic acid receptor-related orphan receptor gamma t (RORγt), with an IC50 of 264 nM· MRL-871 has a unique imidazole chemical structure and can effectively reduce the generation of IL-17a mRNA in EL4 cells

ChemicalCAS1392809-08-3MW444.79FormulaC22H12ClF3N2O3
CAS number
1392809-08-3
Molecular weight
444.79
Formula
C22H12ClF3N2O3
Solubility
DMSO : 25 mg/mL (56·21 mM; ultrasonic and warming and heat to 60°C)
InChIKey
DANLZOIRUUHIIX-UHFFFAOYSA-N
Catalogue number
GC69496
Brand
GLPBIO
Computed properties PubChem CID 68159303 · XLogP 5.8 · TPSA 72.2 Ų · H-bond donors 1
XLogP
5.8
TPSA
72.2 Ų
H-bond donors
1
H-bond acceptors
7
Rotatable bonds
3
Heavy atoms
31

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

Computed descriptors from PubChem (CID 68159303), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

Ordering in Israel

Lead time
Ships from the manufacturer to your lab in 8–14 business days; customs and cold chain handled by LABO Scientific.
Pricing
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Documents
Lot certificate of analysis and manufacturer SDS are emailed with your order confirmation.
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