Martinostat information

Martinostat
Identifiers
	IUPAC name (2E)-3-(4-{[(Adamantan-1-ylmethyl)(methyl)amino]methyl}phenyl)-N-hydroxyacrylamide;
CAS Number	1629052-58-9;
ChemSpider	34987952;
UNII	8JJC99KHGL;
CompTox Dashboard (EPA)	DTXSID101045816 ;
Chemical and physical data
Formula	C22H30N2O2
Molar mass	354.494 g·mol−1
3D model (JSmol)	Interactive image;
	SMILES CN(Cc1ccc(cc1)/C=C/C(=O)NO)CC23CC4CC(C2)CC(C4)C3;

Martinostat is a histone deacetylase inhibitor (HDACi) that is potent against recombinant class I HDACs (isoforms 1-3) and class IIb HDAC (isoform 6) with low nanomolar affinities.^[1] In tissue CETSA assays,^[2] martinostat exhibits selectivity for class I HDACs (isoforms 1-3).^[3] When tagged with the radioisotope carbon-11, martinostat can be used to quantify HDAC in the brain and peripheral organs using positron emission tomography. Martinostat was given a name that adopted the style of other HDAC inhibitors, such as vorinostat, entinostat, and crebinostat, that recognized the academic center in which it was developed, the Martinos Center for Biomedical Imaging.

^ Wang C, Schroeder FA, Wey HY, Borra R, Wagner FF, Reis S, et al. (October 2014). "In vivo imaging of histone deacetylases (HDACs) in the central nervous system and major peripheral organs". Journal of Medicinal Chemistry. 57 (19): 7999–8009. doi:10.1021/jm500872p. PMC 4191584. PMID 25203558.
^ Jafari R, Almqvist H, Axelsson H, Ignatushchenko M, Lundbäck T, Nordlund P, Martinez Molina D (September 2014). "The cellular thermal shift assay for evaluating drug target interactions in cells". Nature Protocols. 9 (9): 2100–22. doi:10.1038/nprot.2014.138. PMID 25101824. S2CID 14939791.
^ Wey HY, Gilbert TM, Zürcher NR, She A, Bhanot A, Taillon BD, et al. (August 2016). "Insights into neuroepigenetics through human histone deacetylase PET imaging". Science Translational Medicine. 8 (351): 351ra106. doi:10.1126/scitranslmed.aaf7551. PMC 5784409. PMID 27510902.

[1] Wang C, Schroeder FA, Wey HY, Borra R, Wagner FF, Reis S, et al. (October 2014). "In vivo imaging of histone deacetylases (HDACs) in the central nervous system and major peripheral organs". Journal of Medicinal Chemistry. 57 (19): 7999–8009. doi:10.1021/jm500872p. PMC 4191584. PMID 25203558.

[2] Jafari R, Almqvist H, Axelsson H, Ignatushchenko M, Lundbäck T, Nordlund P, Martinez Molina D (September 2014). "The cellular thermal shift assay for evaluating drug target interactions in cells". Nature Protocols. 9 (9): 2100–22. doi:10.1038/nprot.2014.138. PMID 25101824. S2CID 14939791.

[3] Wey HY, Gilbert TM, Zürcher NR, She A, Bhanot A, Taillon BD, et al. (August 2016). "Insights into neuroepigenetics through human histone deacetylase PET imaging". Science Translational Medicine. 8 (351): 351ra106. doi:10.1126/scitranslmed.aaf7551. PMC 5784409. PMID 27510902.

Martinostat information

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Martinostat

List of PET radiotracers

Ketone bodies

Histone deacetylase inhibitor

Nicotinamide

Sulforaphane

Sodium butyrate

Valproate

Capsaicin

Curcumin

Sodium oxybate

Acetoacetic acid

Histone deacetylase

C22H30N2O2

Trichostatin A

Butyric acid

Parthenolide

Tucidinostat

Diallyl disulfide

Valpromide

Jacob Hooker

Givinostat

Vorinostat

Apicidin

Resminostat

Pracinostat

Sodium phenylbutyrate

Identifiers

IUPAC name (2E)-3-(4-{[(Adamantan-1-ylmethyl)(methyl)amino]methyl}phenyl)-N-hydroxyacrylamide
CAS Number	1629052-58-9
ChemSpider	34987952
UNII	8JJC99KHGL
CompTox Dashboard (EPA)	DTXSID101045816
Chemical and physical data
Formula	C₂₂H₃₀N₂O₂
Molar mass	354.494 g·mol⁻¹
3D model (JSmol)	Interactive image
SMILES CN(Cc1ccc(cc1)/C=C/C(=O)NO)CC23CC4CC(C2)CC(C4)C3