171049-41-5
Chemical Structure
LXRβ ligand 1
- CAS No.: 171049-41-5
- Formula:C14H20N2O2
- Molecular Weight:248.32
IUPAC Name: tert-butyl 7-amino-3,4-dihydroisoquinoline-2(1H)-carboxylate
InChIKey: AGRBXKCSGCUXST-UHFFFAOYSA-N
SMILES: O=C(N1CC2=CC(N)=CC=C2CC1)OC(C)(C)C
Biological Activity: LXRβ ligand 1 is a LXR β ligand-binding domain agonist, with an EC50 of 57 μM and a Ki of 28 μM against human LXR β. LXRβ ligand 1 forms hydrogen bonds with His435, stabilizes the His-Trp activation switch, and locks the ligand-binding domain in an agonist conformation; its tert-butyl moiety occupies a hydrophobic subpocket, while its phenyl moiety forms a π-π stacking interaction with Phe329. LXRβ ligand 1 serves as a structural unit for the development of LXRβ modulators[1].
| Cat. No. | Product Name | Purity | Description | Pricing | |||||||||||||||||||
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LXRβ ligand 1 | 99.40% | LXRβ ligand 1 is a LXR β ligand-binding domain agonist, with an EC50 of 57 μM and a Ki of 28 μM against human LXR β. LXRβ ligand 1 forms hydrogen bonds with His435, stabilizes the His-Trp activation switch, and locks the ligand-binding domain in an agonist conformation; its tert-butyl moiety occupies a hydrophobic subpocket, while its phenyl moiety forms a π-π stacking interaction with Phe329. LXRβ ligand 1 serves as a structural unit for the development of LXRβ modulators. | ||||||||||||||||||||
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