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| | BRD-7539 Basic information |
| Product Name: | BRD-7539 | | Synonyms: | BRD 7539;BRD7539;BRD-7539;1-Azetidinecarboxamide, 2-cyano-3-[4-[2-(3-fluorophenyl)ethynyl]phenyl]-4-(hydroxymethyl)-N-propyl-, (2S,3S,4S)- | | CAS: | 2057420-00-3 | | MF: | C23H22FN3O2 | | MW: | 391.44 | | EINECS: | | | Product Categories: | | | Mol File: | 2057420-00-3.mol |  |
| | BRD-7539 Chemical Properties |
| Boiling point | 643.3±55.0 °C(Predicted) | | density | 1.29±0.1 g/cm3(Predicted) | | pka | 13.89±0.70(Predicted) |
| | BRD-7539 Usage And Synthesis |
| Description | BRD7539B is a Dihydroorotate dehydrogenase (DHODH) inhibitor . RD7539 had shown to target PfDHODH (IC50 = 0.033 μM) selectively over human (Hs) DHODH (IC50 > 50 μM). BRD7539 was reported to have potent activity against both multidrug-resistant asexual blood-stage (P. falciparum, Dd2_x000D_
strain, EC50 = 0.010 μM) and liver-stage (P. berghei, EC50 =0.015 μM) parasites but no activity against sexual blood-stage (P. falciparum, stages IVV, EC50 > 20 μM) parasites. BRD7539 is an azetidine carbonitrile with three contiguous stereocenters (2S,3S,4S), and stereochemistry-based structure_x000D_
activity relationships (SSARs) showed that only two of eight possible stereoisomers are active. | | Uses | BRD7539 is a PfDHODH inhibitor (IC50 = 0.033 μM). BRD7539 has potent activity against both multidrug-resistant asexual blood-stage (P. falciparum, Dd2 strain, EC50 = 0.010 μM) and liver-stage (P. berghei, EC50 = 0.015 μM) parasites[1]. | | References | [1] Maetani M, et al. Discovery of Antimalarial Azetidine-2-carbonitriles That Inhibit P. falciparum Dihydroorotate Dehydrogenase. ACS Med Chem Lett. 2017 Feb 27;8(4):438-442. DOI:10.1021/acsmedchemlett.7b00030 |
| | BRD-7539 Preparation Products And Raw materials |
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