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Chemical structure of Nur77 modulator 3

GC75762

Nur77 modulator 3

Also known as 1-[(E)-1H-indol-3-ylmethylideneamino]-3-(4-methylphenyl)thiourea

Nur77 modulator 3 (9e) can bind to Nur77 and inhibit TGF-β1-induced α-SMA and COLA1 expression in a Nur77-dependent manner

ChemicalCAS2097787-75-0MW308.4FormulaC17H16N4S
CAS number
2097787-75-0
Molecular weight
308.4
Formula
C17H16N4S
Solubility
DMSO： 250 mg/mL (810·64 mM; Need ultrasonic)
InChIKey
PLURIIVXGBZIRM-YBFXNURJSA-N
Catalogue number
GC75762
Brand
GLPBIO
Computed properties PubChem CID 135688226 · XLogP 3.8 · TPSA 84.3 Ų · H-bond donors 3
XLogP
3.8
TPSA
84.3 Ų
H-bond donors
3
H-bond acceptors
2
Rotatable bonds
3
Heavy atoms
22

SMILES CC1=CC=C(C=C1)NC(=S)N/N=C/C2=CNC3=CC=CC=C32

Computed descriptors from PubChem (CID 135688226), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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