1147823-21-9
Chemical Structure
SMDC818909
- CAS No.: 1147823-21-9
- Formula:C14H13N5O
- Molecular Weight:267.29
IUPAC Name: 3-amino-N-(2-methyl-1H-indol-5-yl)pyrazine-2-carboxamide
InChIKey: PJTNJJWGQNSQDQ-UHFFFAOYSA-N
SMILES: O=C(NC1=CC2=C(C=C1)NC(C)=C2)C3=NC=CN=C3N
Biological Activity: SMDC818909 is an indole amide-derived uncompetitive inhibitor targeting p97 AAA+ ATPase, with an IC50 of 3.5 μM and a Ka of 9.1 μM. SMDC818909 binds to the D2 ATPase domain of p97, preferentially associates with the ADP-bound conformation of p97, allosterically blocks the ATP hydrolysis cycle of p97, and inhibits its mediated intracellular protein homeostasis regulatory function. SMDC818909 is applied to the research and development of p97-targeted antitumor drugs, as well as studies on cancer-related proteotoxic stress mechanisms[1][2][3].
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SMDC818909 | SMDC818909 is an indole amide-derived uncompetitive inhibitor targeting p97 AAA+ ATPase, with an IC50 of 3.5 μM and a Ka of 9.1 μM. SMDC818909 binds to the D2 ATPase domain of p97, preferentially associates with the ADP-bound conformation of p97, allosterically blocks the ATP hydrolysis cycle of p97, and inhibits its mediated intracellular protein homeostasis regulatory function. SMDC818909 is applied to the research and development of p97-targeted antitumor drugs, as well as studies on cancer-related proteotoxic stress mechanisms. | |||||||||||||||||||||
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- [1]. Alverez C, et al. Allosteric Indole Amide Inhibitors of p97: Identification of a Novel Probe of the Ubiquitin Pathway. ACS Med Chem Lett. 2015;7(2):182-187. Published 2015 Dec 22. [Content Brief]
- [2]. Bulfer S L, Arkin M R. Applying Biophysical and Biochemical Methods to the Discovery of Allosteric Modulators of the AAA ATPase p97[J]. Applied Biophysics for Drug Discovery, 2017: 217-240.
- [3]. Carder E J. Synthetic Efforts toward p97 AAA+ ATPaseand p75 Neurotrophin Receptor Inhibitors[D]. University of Pittsburgh, 2019.
Keywords
