| Identification | Back Directory | [Name]
2-Thiophenecarboxylic acid, 5-[4-(phenylmethoxy)phenyl]- | [CAS]
742058-34-0 | [Synonyms]
Nurr1 agonist 2
2-Thiophenecarboxylic acid, 5-[4-(phenylmethoxy)phenyl]- | [Molecular Formula]
C18H14O3S | [MDL Number]
MFCD06802455 | [MOL File]
742058-34-0.mol | [Molecular Weight]
310.37 |
| Chemical Properties | Back Directory | [Boiling point ]
519.2±50.0 °C(Predicted) | [density ]
1.285±0.06 g/cm3(Predicted) | [form ]
Solid | [pka]
3.58±0.10(Predicted) | [color ]
White to off-white |
| Hazard Information | Back Directory | [Uses]
Nurr1 agonist 2 (Compound 7) is a Nurr1 agonist (EC50: 0.07 μM). Nurr1 agonist 2 binds to the recombinant Nurr1 ligand binding domain (LBD) with a Kd value of 0.14 μM. Nurr1 agonist 2 increases the Nurr1-regulated genes tyrosine hydroxylase (TH) and vesicular amino acid transporter 2 (VMAT2) mRNA expression[1]. | [IC 50]
Nurr1/NR4A2 | [References]
[1] Ballarotto M, et al.De Novo Design of Nurr1 Agonists via Fragment-Augmented Generative Deep Learning in Low-Data Regime. J Med Chem. 2023 Jun 22;66(12):8170-8177. DOI:10.1021/acs.jmedchem.3c00485 |
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