24587-49-3
Chemical Structure
(E) -4-Hydroxycrotonic acid
Synonym(s): trans-4-Hydroxycrotonic acid;trans-γ-Hydroxycrotonic acid;T‐HCA
- CAS No.: 24587-49-3
- Formula:C4H6O3
- Molecular Weight:102.09
IUPAC Name: (E)-4-hydroxybut-2-enoic acid
InChIKey: RMQJECWPWQIIPW-OWOJBTEDSA-N
SMILES: O=C(O)/C=C/CO
Biological Activity: (E)-4-Hydroxycrotonic acid (T-HCA) is a high-affinity ligand for GHB binding sites, with a ki value of 1.1 μM. The introduction of diaryl substituents into (E)-4-Hydroxycrotonic acid significantly enhances its affinity for GHB binding sites, with ki values ranging from 0.023 to 0.075 μM. (E)-4-Hydroxycrotonic acid holds promise for optimizing GHB ligand structures and assisting in the development of effective three-dimensional pharmacophore models[1].
| Cat. No. | Product Name | Purity | Description | Pricing | |||||||||||||||||||
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(E) -4-Hydroxycrotonic acid | 98.0% | (E)-4-Hydroxycrotonic acid (T-HCA) is a high-affinity ligand for GHB binding sites, with a ki value of 1.1 μM. The introduction of diaryl substituents into (E)-4-Hydroxycrotonic acid significantly enhances its affinity for GHB binding sites, with ki values ranging from 0.023 to 0.075 μM. (E)-4-Hydroxycrotonic acid holds promise for optimizing GHB ligand structures and assisting in the development of effective three-dimensional pharmacophore models. | ||||||||||||||||||||
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References
- [1]. Krall J, et al. Molecular Hybridization of Potent and Selective γ-Hydroxybutyric Acid (GHB) Ligands: Design, Synthesis, Binding Studies, and Molecular Modeling of Novel 3-Hydroxycyclopent-1-enecarboxylic Acid (HOCPCA) and trans-γ-Hydroxycrotonic Acid (T-HCA) Analogs. J Med Chem. 2017 Nov 9;60(21):9022-9039. [Content Brief]
