2468199-06-4
2468199-06-4
Chemical Structure
H3B-616
- CAS No.: 2468199-06-4
- Formula:C23H24FN3O3
- Molecular Weight:409.45
InChIKey: WTXZRSDVMFYIFC-HUUCEWRRSA-N
SMILES: O=C(N1C[C@H](N([C@@H](C1)C)C(C2=C(C=C(C=C2)OC)F)=O)C)C3=CC=C(C=CN4)C4=C3
Biological Activity: H3B-616 is a selective carbamoyl phosphate synthetase 1 (CPS1) inhibitor with a human IC50 of 66 nM. H3B-616 binds to an allosteric pocket in the CPS1 integrating domain to exert target engagement and inhibit enzyme activity. H3B-616 can be used for the research of nonsmall cell lung cancer and gastric cancer[1][2].
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H3B-616 | H3B-616 is a selective carbamoyl phosphate synthetase 1 (CPS1) inhibitor with a human IC50 of 66 nM. H3B-616 binds to an allosteric pocket in the CPS1 integrating domain to exert target engagement and inhibit enzyme activity. H3B-616 can be used for the research of nonsmall cell lung cancer and gastric cancer. | |||||||||||||||||||||
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References
- [1]. Rolfe A, et al. Discovery of 2,6-Dimethylpiperazines as Allosteric Inhibitors of CPS1. ACS Med Chem Lett. 2020;11(6):1305-1309. Published 2020 May 26. [Content Brief]
- [2]. Gavande NS, et al. Structure-Guided Optimization of Replication Protein A (RPA)-DNA Interaction Inhibitors. ACS Med Chem Lett. 2020;11(6):1118-1124. Published 2020 Jan 2. [Content Brief]
