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Mocetinostat

CAS No.:
726169-73-9
Catalog Number:
AG0039AL
Molecular Formula:
C23H20N6O
Molecular Weight:
396.4445
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
5mg
99%(HPLC)
In Stock USA
United States
$72
- +
10mg
99%(HPLC)
In Stock USA
United States
$103
- +
50mg
99%(HPLC)
In Stock USA
United States
$185
- +
100mg
99%(HPLC)
In Stock USA
United States
$285
- +
Product Description
Catalog Number:
AG0039AL
Chemical Name:
Mocetinostat
CAS Number:
726169-73-9
Molecular Formula:
C23H20N6O
Molecular Weight:
396.4445
MDL Number:
MFCD10565970
IUPAC Name:
N-(2-aminophenyl)-4-[[(4-pyridin-3-ylpyrimidin-2-yl)amino]methyl]benzamide
InChI:
InChI=1S/C23H20N6O/c24-19-5-1-2-6-21(19)28-22(30)17-9-7-16(8-10-17)14-27-23-26-13-11-20(29-23)18-4-3-12-25-15-18/h1-13,15H,14,24H2,(H,28,30)(H,26,27,29)
InChI Key:
HRNLUBSXIHFDHP-UHFFFAOYSA-N
SMILES:
O=C(c1ccc(cc1)CNc1nccc(n1)c1cccnc1)Nc1ccccc1N
EC Number:
232-668-6
UNII:
A6GWB8T96J
Properties
Complexity:
538  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
396.17g/mol
Formal Charge:
0
Heavy Atom Count:
30  
Hydrogen Bond Acceptor Count:
6  
Hydrogen Bond Donor Count:
3  
Isotope Atom Count:
0
Molecular Weight:
396.454g/mol
Monoisotopic Mass:
396.17g/mol
Rotatable Bond Count:
6  
Topological Polar Surface Area:
106A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8  
Literature
Title Journal
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Natural indoles, indole-3-carbinol and 3,3'-diindolymethane, inhibit T cell activation by staphylococcal enterotoxin B through epigenetic regulation involving HDAC expression. Toxicology and applied pharmacology 20140101
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Selective histone deacetylase 6 inhibitors bearing substituted urea linkers inhibit melanoma cell growth. Journal of medicinal chemistry 20121126
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Selective class I histone deacetylase inhibition suppresses hypoxia-induced cardiopulmonary remodeling through an antiproliferative mechanism. Circulation research 20120302
Mocetinostat for relapsed classical Hodgkin's lymphoma: an open-label, single-arm, phase 2 trial. The Lancet. Oncology 20111201
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The class-I HDAC inhibitor MGCD0103 induces apoptosis in Hodgkin lymphoma cell lines and synergizes with proteasome inhibitors by an HDAC6-independent mechanism. British journal of haematology 20101101
Histone deacetylase inhibitors in the treatment of lymphoma. Discovery medicine 20101101
The class I HDAC inhibitor MGCD0103 induces cell cycle arrest and apoptosis in colon cancer initiating cells by upregulating Dickkopf-1 and non-canonical Wnt signaling. Oncotarget 20101101
The combination of a histone deacetylase inhibitor with the BH3-mimetic GX15-070 has synergistic antileukemia activity by activating both apoptosis and autophagy. Autophagy 20101001
The histone deacetylase inhibitor MGCD0103 has both deacetylase and microtubule inhibitory activity. Molecular pharmacology 20100901
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Combinations of DNA methyltransferase and histone deacetylase inhibitors induce DNA damage in small cell lung cancer cells: correlation of resistance with IFN-stimulated gene expression. Molecular cancer therapeutics 20100801
The histone deacetylase inhibitor MGCD0103 induces apoptosis in B-cell chronic lymphocytic leukemia cells through a mitochondria-mediated caspase activation cascade. Molecular cancer therapeutics 20100501
[New approach to determine the pharmacodynamic effects of histone deacetylases inhibitors]. Pharmazie in unserer Zeit 20100501
Effect of antioxidants on airway smooth muscle contraction: action of lipoic acid and some of its novel derivatives on guinea pig tracheal smooth muscle. Inflammation research : official journal of the European Histamine Research Society ... [et al.] 20100301
Effect of endogenous and synthetic antioxidants on hydrogen peroxide-induced guinea-pig colon contraction. Inflammation research : official journal of the European Histamine Research Society ... [et al.] 20100301
Chemical phylogenetics of histone deacetylases. Nature chemical biology 20100301
Novel histone deacetylase inhibitors in clinical trials as anti-cancer agents. Journal of hematology & oncology 20100101
Phase II study of the histone deacetylase inhibitor MGCD0103 in patients with previously treated chronic lymphocytic leukaemia. British journal of haematology 20091101
Diphenylmethylene hydroxamic acids as selective class IIa histone deacetylase inhibitors. Bioorganic & medicinal chemistry letters 20091001
Clinical studies of histone deacetylase inhibitors. Clinical cancer research : an official journal of the American Association for Cancer Research 20090615
Acquired vorinostat resistance shows partial cross-resistance to 'second-generation' HDAC inhibitors and correlates with loss of histone acetylation and apoptosis but not with altered HDAC and HAT activities. Anti-cancer drugs 20090601
A systematic assessment of radiation dose enhancement by 5-Aza-2'-deoxycytidine and histone deacetylase inhibitors in head-and-neck squamous cell carcinoma. International journal of radiation oncology, biology, physics 20090301
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Effects of a selection of histone deacetylase inhibitors on mast cell activation and airway and colonic smooth muscle contraction. International immunopharmacology 20081220
Phase 1 study of the oral isotype specific histone deacetylase inhibitor MGCD0103 in leukemia. Blood 20080815
Promising antitumor activity with MGCD0103, a novel isotype-selective histone deacetylase inhibitor. Expert opinion on investigational drugs 20080801
Discovery of N-(2-aminophenyl)-4-[(4-pyridin-3-ylpyrimidin-2-ylamino)methyl]benzamide (MGCD0103), an orally active histone deacetylase inhibitor. Journal of medicinal chemistry 20080724
Evaluation of the pharmacodynamic effects of MGCD0103 from preclinical models to human using a novel HDAC enzyme assay. Clinical cancer research : an official journal of the American Association for Cancer Research 20080601
Phase I study of MGCD0103 given as a three-times-per-week oral dose in patients with advanced solid tumors. Journal of clinical oncology : official journal of the American Society of Clinical Oncology 20080420
MGCD0103, a novel isotype-selective histone deacetylase inhibitor, has broad spectrum antitumor activity in vitro and in vivo. Molecular cancer therapeutics 20080401
Probing the elusive catalytic activity of vertebrate class IIa histone deacetylases. Bioorganic & medicinal chemistry letters 20080315
Histone deacetylase inhibitors in lymphoma and solid malignancies. Expert review of anticancer therapy 20080301
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Determination of the class and isoform selectivity of small-molecule histone deacetylase inhibitors. The Biochemical journal 20080115
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Properties