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Chemical structure of Nur77 modulator 1

GC62416

Nur77 modulator 1

Also known as 5-[(8-methoxy-2-methylquinolin-4-yl)amino]-N-[(E)-(4-methylsulfanylphenyl)methylideneamino]-1H-indole-2-carboxamide

Nur77 modulator 1 is a good Nur77 binder (KD = 3·58 μM)· Nur77 modulator 1 up-regulates Nur77 expression, mediates sub-cellular localization of Nur77, induces Nur77-dependent ER stress and autophagy, and results in cell apoptosis· Anti-hepatoma activity

ChemicalCAS2469975-55-9MW495.6FormulaC28H25N5O2S
CAS number
2469975-55-9
Molecular weight
495.6
Formula
C28H25N5O2S
Solubility
DMSO ： 125 mg/mL (252·22 mM; Need ultrasonic)
InChIKey
ZDSQJUKYFCIYLG-MUFRIFMGSA-N
Catalogue number
GC62416
Brand
GLPBIO
Computed properties PubChem CID 155971225 · XLogP 6 · TPSA 117 Ų · H-bond donors 3
XLogP
6
TPSA
117 Ų
H-bond donors
3
H-bond acceptors
6
Rotatable bonds
7
Heavy atoms
36

SMILES CC1=CC(=C2C=CC=C(C2=N1)OC)NC3=CC4=C(C=C3)NC(=C4)C(=O)N/N=C/C5=CC=C(C=C5)SC

Computed descriptors from PubChem (CID 155971225), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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