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Chemical structure of RORγt agonist 3

GC69830

RORγt agonist 3

Also known as N-[(1S)-2-cyano-1-(4-ethylsulfonylphenyl)ethyl]-4-[3,5-dicyclopropyl-N-(cyclopropylmethyl)anilino]benzamide

RORγt agonist 2 is an effective RORγt activator· It promotes Th17 cell differentiation, increases pro-inflammatory cytokine levels, and enhances lymphocyte cytotoxicity· RORγt agonist 2 inhibits the production of regulatory T cells, thereby suppressing immune responses (extracted from patent WO2021136326A1, compound 23)

ChemicalCAS2664106-24-3MW567.74FormulaC34H37N3O3S
CAS number
2664106-24-3
Molecular weight
567.74
Formula
C34H37N3O3S
Solubility
DMSO : 100 mg/mL (176·14 mM; Need ultrasonic)
InChIKey
USBZHIHCYYIWNH-XIFFEERXSA-N
Catalogue number
GC69830
Brand
GLPBIO
Computed properties PubChem CID 156578477 · XLogP 6.3 · TPSA 98.7 Ų · H-bond donors 1
XLogP
6.3
TPSA
98.7 Ų
H-bond donors
1
H-bond acceptors
5
Rotatable bonds
12
Heavy atoms
41

SMILES CCS(=O)(=O)C1=CC=C(C=C1)[C@H](CC#N)NC(=O)C2=CC=C(C=C2)N(CC3CC3)C4=CC(=CC(=C4)C5CC5)C6CC6

Computed descriptors from PubChem (CID 156578477), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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