2772902-12-0
Chemical Structure
M4K2009 hydrochloride
- CAS No.: 2772902-12-0
- Formula:C25H30ClN3O3
- Molecular Weight:455.98
IUPAC Name: 1-(4-(4-methyl-5-(3,4,5-trimethoxyphenyl)pyridin-3-yl)phenyl)piperazine hydrochloride
InChIKey: KAZNWRAPVUYTOZ-UHFFFAOYSA-N
SMILES: COC(C=C1C2=CN=CC(C3=CC=C(N4CCNCC4)C=C3)=C2C)=C(C(OC)=C1)OC.Cl
Biological Activity: M4K2009 hydrochloride is an orally active, blood-brain barrier permeable type I ALK2 inhibitor, with an IC50 value of 8-13 nM against human ALK2. M4K2009 hydrochloride exhibits moderate off-target inhibitory activity against hERG potassium channels (Potassium Channel), with an IC50 of 8 μM against the human channel. M4K2009 hydrochloride can be used in studies related to diffuse intrinsic pontine glioma[1][2][3][4].
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M4K2009 hydrochloride | M4K2009 hydrochloride is an orally active, blood-brain barrier permeable type I ALK2 inhibitor, with an IC50 value of 8-13 nM against human ALK2. M4K2009 hydrochloride exhibits moderate off-target inhibitory activity against hERG potassium channels (Potassium Channel), with an IC50 of 8 μM against the human channel. M4K2009 hydrochloride can be used in studies related to diffuse intrinsic pontine glioma. | |||||||||||||||||||||
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- [1]. Smil D, et al. Leveraging an Open Science Drug Discovery Model to Develop CNS-Penetrant ALK2 Inhibitors for the Treatment of Diffuse Intrinsic Pontine Glioma. Journal of medicinal chemistry. 2020 Sep 10;63(17):10061-10085. [Content Brief]
- [2]. Ensan D, et al. Targeting ALK2: An Open Science Approach to Developing Therapeutics for the Treatment of Diffuse Intrinsic Pontine Glioma. Journal of medicinal chemistry. 2020 May 14;63(9):4978-4996. [Content Brief]
- [3]. Murrell E, et al. Leveraging Open Science Drug Development for PET: Preliminary Neuroimaging of C-Labeled ALK2 Inhibitors. ACS medicinal chemistry letters. 2021 May 13;12(5):846-850. [Content Brief]
- [4]. González-Álvarez H, et al. Discovery of Conformationally Constrained ALK2 Inhibitors. Journal of medicinal chemistry. 2024 Mar 28;67(6):4707-4725. [Content Brief]
Keywords
