Compound: Mocetinostat
SMILES: O=C(Nc1c(N)cccc1)c2ccc(CNc3nc(-c4cnccc4)ccn3)cc2
InChIKey: HRNLUBSXIHFDHP-UHFFFAOYSA-N
Synonyms: Mocetinostat, 726169-73-9, MGCD0103, N-(2-AMINOPHENYL)-4-([[4-(PYRIDIN-3-YL)PYRIMIDIN-2-YL]AMINO]METHYL)BENZAMIDE, A6GWB8T96J, MG0103, MG-0103, N-(2-aminophenyl)-4-({[4-(pyridin-3-yl)pyrimidin-2-yl]amino}methyl)benzamide, N-(2-Aminophenyl)-4-((4-pyridin-3-ylpyrimidin-2-ylamino)methyl)benzamide, N-(2-aminophenyl)-4-(((4-(pyridin-3-yl)pyrimidin-2-yl)amino)methyl)benzamide, DTXSID80222945, Benzamide, N-(2-aminophenyl)-4-(((4-(3-pyridinyl)-2-pyrimidinyl)amino)methyl)-, n-(2-aminophenyl)-4-[(4-pyridin-3-ylpyrimidin-2-ylamino)methyl]benzamide, MG4230, MG4915, MG5206, MG-4230, MG-4915, MG-5026, mocetinostatum, RefChem:926017, DTXCID10145436, Peroxidase, MGCD-0103, 9003-99-0, MGCD 0103, Mocetinostat (MGCD0103), N-(2-aminophenyl)-4-[[(4-pyridin-3-ylpyrimidin-2-yl)amino]methyl]benzamide, MFCD10565970, Mocetinostat (MGCD-0103), MG 0103, N-(2-aminophenyl)-4-[[[4-(3-pyridyl)pyrimidin-2-yl]amino]methyl]benzamide, CHEMBL272980, PEROXIDASE FROM HORSERADISH, Mocetinostat (USAN/INN), Horseradish Peroxidase (HRP), Mocetinostat [USAN], Mocetinostat [USAN:INN], UNII-A6GWB8T96J, MGCD0103 (Mocetinostat), Peroxidase(POD), 726169-73-9 (free base), MFCD00071339, Mocetinostat;Mgcd0103, Myeloperoxidase (USAN), MGCD010,3Mocetinostat, MOCETINOSTAT [INN], MLS006010181, MGCD0103 (Mocetinostat)?, MOCETINOSTAT [WHO-DD], SCHEMBL157027, GTPL7008, orb1305374, SCHEMBL29454790, SCHEMBL29534132, BDBM24624, CHEBI:94525, EX-A049, GLXC-90062, HMS3426I07, HMS3654K06, BBL102287, NSC760143, s1122, STL556086, AKOS016340325, BD-0114, CCG-208763, CS-0502, DB11830, FM34131, NSC-760143, SB16666, NCGC00263182-01, NCGC00263182-02, NCGC00263182-11, AC-30281, BP-40070, HY-12164, SMR004701289, SY078174, NS00071043, SW218130-2, D09641, D09643, AU-004/43508107, Q424869, BRD-K16485616-001-01-4, BRD-K16485616-001-04-8, BRD-K16485616-001-08-9, BRD-K16485616-001-12-1, BRD-K16485616-001-13-9, N-(2-aminophenyl)-4-((4-(pyridin-3-yl)pyrimidin-2-ylamino)methyl)benzamide, N-(2-aminophenyl)-4-({[4-(3-pyridinyl)-2-pyrimidinyl]amino}methyl)benzamide
Theoretical properties:
molecular_formula: C23H20N6O
molecular_weight: 396.4 g/mol
exact_mass: 396.16985928 g/mol
formal_charge: 0
hydrogen_bond_donor_count: 3
hydrogen_bond_acceptor_count: 6
rotatable_bond_count: 6
heavy_atom_count: 30
topological_polar_surface_area: 106 Å²
isotope_atom_count: 0
covalently_bonded_unit_count: 1
Physical properties:
Descriptions:
chebi: A benzamide obtained by formal condensation of the carboxy group of 4-({[4-(pyridin-3-yl)pyrimidin-2-yl]amino}methyl)benzoic acid with one of the amino groups of benzene-1,2-diamine. It is an orally active and isotype-selective HDAC inhibitor which exhibits antitumour activity (IC<small><sub>50</sub></small> = 0.15, 0.29, 1.66 and 0.59 μM for HDAC1, HDAC2, HDAC3 and HDAC11).
chembl: MOCETINOSTAT is a small molecule listed in the ChEMBL database and has reached clinical trial phase 2.0.
wikipedia: Mocetinostat (MGCD0103) is a benzamide histone deacetylase inhibitor undergoing clinical trials for treatment of various cancers including follicular lymphoma, Hodgkin's lymphoma and acute myelogenous leukemia.
One clinical trial (for refractory follicular lymphoma) was temporarily put on hold due to cardiac problems but resumed recruiting in 2009.
In 2010 favourable results were announced from the phase II trial for Hodgkin's lymphoma.
MGCD0103 has also been used as a research reagent where blockage of members of the HDAC-family of histone deacetylases is required.