Mocetinostat (MGCD0103)

Catalog No.S1122 Synonyms: MG0103

Mocetinostat (MGCD0103) Chemical Structure

Molecular Weight(MW): 396.44

Mocetinostat (MGCD0103) is a potent HDAC inhibitor with most potency for HDAC1 with IC50 of 0.15 μM in a cell-free assay, 2- to 10- fold selectivity against HDAC2, 3, and 11, and no activity to HDAC4, 5, 6, 7, and 8. Phase 2.

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Cited by 30 Publications

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Biological Activity

Description Mocetinostat (MGCD0103) is a potent HDAC inhibitor with most potency for HDAC1 with IC50 of 0.15 μM in a cell-free assay, 2- to 10- fold selectivity against HDAC2, 3, and 11, and no activity to HDAC4, 5, 6, 7, and 8. Phase 2.
Targets
HDAC1 [1]
(Cell-free assay)
HDAC2 [1]
(Cell-free assay)
HDAC11 [1]
(Cell-free assay)
HDAC3 [1]
(Cell-free assay)
0.15 μM 0.29 μM 0.59 μM 1.66 μM
In vitro

MGCD0103 inhibits only a subset of the nine human recombinant HDACs, including HDAC1, HDAC2, HDAC3, and HDAC11 at nanomolar or low micromolar concentrations, in a dose-dependent manner. MGCD0103 reveals most potent inhibitory activity against human HDAC1 and HDAC2 enzymes in vitro, and it does not inhibit class II HDACs. The exocyclic amino group in MGCD0103 is necessary for enzyme inhibitory activity because HDAC-inhibitory activity against HDAC1 and HDAC2 is completely abolished with the desamino analogue. The inhibitory activity of MGCD0103 reaches the maximum plateau at 6 μM, and the maximal inhibitable enzyme pool affected by MGCD0103 is 75% of the total enzyme activity in HCT116 cells whereas NVP-LAQ824 inhibits almost 100% of that in these cells. In A549 cells, MGCD0103 also exhibits dose-dependent inhibition of HDAC activity in whole cells. [1]

Cell Data
Cell Lines Assay Type Concentration Incubation Time Formulation Activity Description PMID
MDA-MB-231 M4jvXGdzd3e2aDDJcohq[mm2aX;uJGF{e2G7 NVjRTJV7PDhiaB?= NV76NJI4UUN3ME2zMlA1KM7:TR?= NHXz[mEzPjN5OECzPC=>
BT549 M3XVdWdzd3e2aDDJcohq[mm2aX;uJGF{e2G7 MUO0PEBp M2PLO2lEPTB;ND6zPEDPxE1? NFXk[5IzPjN5OECzPC=>
MCF7 NIfCTWxIem:5dHigTY5pcWKrdHnvckBCe3OjeR?= NGrhZVA1QCCq NH\L[VZKSzVyPUCuOlch|ryP NFfpU28zPjN5OECzPC=>
T47D NV\SU2k3T3Kxd4ToJGlvcGmkaYTpc44hSXO|YYm= MXy0PEBp M4XQd2lEPTB;MT6xO{DPxE1? Mn\yNlY{PzhyM{i=
MOLP8 M3rGO2dzd3e2aDDJcohq[mm2aX;uJGF{e2G7 NXrCVY1YPDhiaB?= M2XNeGlEPTB;MD62xtEhOC5yNN88US=> NWXEWWF5OjZyOUG1NVg>
Panc1 MWPGeY5kfGmxbjDBd5NigQ>? NWm4NGlkOC53L{GvNk42KM7:TR?= NF7ibGo1QCCq NVHGXppQTE2VTx?= NI\UN4h2eHKnZ4XsZZRmeyCvaWKtNlA{ NWDqOmJUOjV6N{K5OFE>
Panc1 NXvXeXpXTnWwY4Tpc44hSXO|YYm= Mk\DNE42NzFxMj61JO69VQ>? NXv2UIpuPDhiaB?= MWjEUXNQ MnHldoVlfWOnczDlfJBz\XO|aX;uJI9nKFqHQkGgc44h[m:2aDDtVm5CKGGwZDDwdo91\WmwIHzleoVtyqB? Mle1NlU5PzJ7NEG=
Panc1 M1jPXmFxd3C2b4Ppd{BCe3OjeR?= M3XSWFHDqM7:TR?= MYK3NuKhcA>? MVPEUXNQ NGLNWXF{\W6|aYTpfoV{KFCjbnOxJINmdGy|IH\vdkBo\W2laYThZolv\S2rbnT1Z4VlKGGyb4D0c5Nqew>? MW[yOVg4Ojl2MR?=
Panc1 NGrqOVVE\WyuIG\pZYJqdGm2eTDBd5NigQ>? MnPRNeKh|ryP M4\WSVczyqCq M2nOSWROW09? NU[0Nnd[\W6qYX7j[ZMh\2WvY3n0ZYJqdmVvaX7keYNmeyClZXzsJJZq[WKrbHn0fUBl\WO{ZXHz[S=> M{\FZlI2QDd{OUSx
MMCs MnXwSpVv[3Srb36gRZN{[Xl? MmHVNUDPxG1? Mlv1NE01QCCq NV;BXIdscW6lcnXhd4V{KE6SUlGgdJJwfGWrbjDlfJBz\XO|aX;uxsAzNjgkgKOzMlUh\m:uZB?= MmHPNlQ1PTF|N{i=
MMCs NUDRN|BJTnWwY4Tpc44hSXO|YYm= MmLoNE42NzFizszN M3r1UVI1KGh? M4\RXJNpd3e|IES1MYZwdGRic4TpcZVt[XSrb36gbY4h[0ePUDDs[ZZmdHN? MVeyOFQ2OTN5OB?=
MMCs NVjjW3J4TnWwY4Tpc44hSXO|YYm= M{HxNlHDqM7:TR?= NEPQTJUzPCCq MVLpcoNz\WG|ZYOgTGFVKGGldHn2bZR6 MUGyOFQ2OTN5OB?=
MMCs NVTJfm82TnWwY4Tpc44hSXO|YYm= NWrEcIFHOcLizszN NH\wbJAzPCCq MWLheYdu\W62czDncI9j[WxiYXPleJlt[XSrb36gcIV3\Wy|IH;mJIhqe3SxbnWgTFMuUzlxMUSgLGg{NUt7L{G0ZYMqKGGwZDDIOE1MOTJiKFi0MWsyOmGlKR?= M1ixSVI1PDVzM{e4
MMCs NV\sZ2lqTnWwY4Tpc44hSXO|YYm= NEf3c2QyyqEQvF2= MnK5Ok0zPCCq NGLnR2hld3OnLXTldIVv\GWwdHz5JIlvcGmkaYTzJJRp\SC2cnnt[ZRpgWyjdHnvckBt\X[nbDDv[kBJOy2NOTCoTFMuUzmvZUOp NEK0eJEzPDR3MUO3PC=>
BxPC-3 NIm2NmdIem:5dHigTY5pcWKrdHnvckBCe3OjeR?= NUHLRZZNTUN3ME2xMlEh|ryP NH7md5kzOTN5NU[3PS=>
AsPC-1 NFrXZ2tIem:5dHigTY5pcWKrdHnvckBCe3OjeR?= Ml3vSWM2OD1|Lkmg{txO NYn6TVZsOjF|N{W2O|k>
MiaPaca-2 NWLibIRCT3Kxd4ToJGlvcGmkaYTpc44hSXO|YYm= NX;nT5E3TUN3ME2wMlYh|ryP NUXhdWFJOjF|N{W2O|k>
Panc-1 NXXL[ZkxT3Kxd4ToJGlvcGmkaYTpc44hSXO|YYm= NEX6flRGSzVyPUGuPEDPxE1? NXXTOGN7OjF|N{W2O|k>
PAXF 546L† NIX3e4hIem:5dHigTY5pcWKrdHnvckBCe3OjeR?= MnTISWM2OD1zLkWg{txO NV3SblB1OjF|N{W2O|k>
PAXF 1657L† MUfHdo94fGhiSX7obYJqfGmxbjDBd5NigQ>? M1PHV2VEPTB;MD6zJO69VQ>? NVfoSINvOjF|N{W2O|k>
HCT15 MnzMS5Jwf3SqIFnubIljcXSrb36gRZN{[Xl? MXTJR|UxRTBwNzFOwG0> MnzxNlE{OTd2NUW=
HT-29 M2rtcWdzd3e2aDDJcohq[mm2aX;uJGF{e2G7 NVXKfnl5UUN3ME2wMlch|ryP MYWyNVMyPzR3NR?=
SW48 MUnHdo94fGhiSX7obYJqfGmxbjDBd5NigQ>? MmjrTWM2OD1yLkig{txO NFSwbpQzOTNzN{S1OS=>
SW620 Ml\JS5Jwf3SqIFnubIljcXSrb36gRZN{[Xl? MXfJR|UxRTFizszN MmP2NlE{OTd2NUW=
HMEC NVmxR2pKT3Kxd4ToJGlvcGmkaYTpc44hSXO|YYm= M1W3OWlEPTB;MUmg{txO NV32fWFWOjF|MUe0OVU>
ANBL6  NY\hUYN6TnWwY4Tpc44hSXO|YYm= NXP2[5Z3OcLizszN NX3xSXhKOjRiaB?= MUHlcohidmOnczC1MWFENWmwZIXj[YQhVUGJRT3BN{Bo\W6nIHX4dJJme3Orb36= NVPMZot1OjFzN{G4NlE>
LP1 MnXUSpVv[3Srb36gRZN{[Xl? M{jHUlHDqM7:TR?= MkO2NlQhcA>? MUjlcohidmOnczC1MWFENWmwZIXj[YQhVUGJRT3BN{Bo\W6nIHX4dJJme3Orb36= NHL0WnUzOTF5MUiyNS=>
HD-LM2 NUPpbWhTT3Kxd4ToJGlvcGmkaYTpc44hSXO|YYm= M2XtVVczyqCq NXzSRWlVTE2VTx?= Mo\KTWM2OD1zLki4JO69VQ>? NGLvfYszODh6MEGwOy=>
L428 Ml;jS5Jwf3SqIFnubIljcXSrb36gRZN{[Xl? Mo[1O|LDqGh? MX7EUXNQ NUXYVFlrUUN3ME2xMlk3KM7:TR?= NHfhZmszODh6MEGwOy=>
KM-H2 NFzESYpIem:5dHigTY5pcWKrdHnvckBCe3OjeR?= NE\CV3g4OsLiaB?= MUjEUXNQ M2S4NWlEPTB;Mj64OkDPxE1? M{HmSlIxQDhyMUC3
HD-LM2 M2XPTGZ2dmO2aX;uJGF{e2G7 NVX0bop7OC5zLUKg{txO MoTLNlQhcMLi MX;EUXNQ MXrzbI94eyCjY3X0fYxifGmxbjDv[kBpcXO2b37lJFMh[W6mIIXwdoVofWyjdHnvckBw\iC2aHWgZ4VtdCCleXPs[UBz\We3bHH0c5J6KHC{b4TlbY4heDJz NXXGNFhGOjB6OECxNFc>
L428 MoHNSpVv[3Srb36gRZN{[Xl? NV25TY9xOC5zLUKg{txO M4XwSlI1KGkEoB?= M3yyN2ROW09? M1u5SpNpd3e|IHHj[ZR6dGG2aX;uJI9nKGirc4TvcoUhOyCjbnSgeZBz\We3bHH0bY9vKG:oIITo[UBk\WyuIHP5Z4xmKHKnZ4XsZZRwenlicILveIVqdiCyMkG= MmLINlA5QDBzMEe=
KM-H2 NFHMRXFHfW6ldHnvckBCe3OjeR?= Mon2NE4yNTJizszN MoXLNlQhcMLi M{\1WWROW09? MV;zbI94eyCjY3X0fYxifGmxbjDv[kBpcXO2b37lJFMh[W6mIIXwdoVofWyjdHnvckBw\iC2aHWgZ4VtdCCleXPs[UBz\We3bHH0c5J6KHC{b4TlbY4heDJz NEHlN2gzODh6MEGwOy=>
HD-LM2 NHnKfpZCeG:ydH;zbZMhSXO|YYm= M3LnOVAvOS9yLkWvNUDPxE1? NVL4cIF4PDhiaB?= MVvEUXNQ NELzT|hqdmS3Y3XzJIFxd3C2b4Ppd{Bld3OnIHTldIVv\GWwdHz5 NHzw[WYzODh6MEGwOy=>
L428 MVfBdI9xfG:|aYOgRZN{[Xl? MV6wMlEwOC53L{Gg{txO NIjXR4w1QCCq MlzBSG1UVw>? MUXpcoR2[2W|IHHwc5B1d3OrczDkc5NmKGSncHXu[IVvfGy7 NH:1OYczODh6MEGwOy=>
KM-H2 MUHBdI9xfG:|aYOgRZN{[Xl? NIrqe3gxNjFxMD61M|Eh|ryP MYG0PEBp MWXEUXNQ NFHD[5RqdmS3Y3XzJIFxd3C2b4Ppd{Bld3OnIHTldIVv\GWwdHz5 M{PUbVIxQDhyMUC3
HD-LM2 MWHGeY5kfGmxbjDBd5NigQ>? NXezWmlUOcLizszN MoizNlQwPDhiaB?= NFvsS4xFVVOR Ml\y[I94dnKnZ4XsZZRmeyC[SVHQMEBi[3SrdnH0[YQh[2G|cHHz[ZMhQSCjbnSgNy=> M2LqWVIxQDhyMUC3
L428 MmTUSpVv[3Srb36gRZN{[Xl? MYKxxsDPxE1? MVWyOE81QCCq M163TGROW09? M{fyTIRwf26{ZXf1cIF1\XNiWFnBVEwh[WO2aY\heIVlKGOjc4Dhd4V{KDliYX7kJFM> MX2yNFg5ODFyNx?=
KM-H2 MWfGeY5kfGmxbjDBd5NigQ>? M3ruTFHDqM7:TR?= MofPNlQwPDhiaB?= NGHGOZBFVVOR M4DlRYRwf26{ZXf1cIF1\XNiWFnBVEwh[WO2aY\heIVlKGOjc4Dhd4V{KDliYX7kJFM> M3PvfFIxQDhyMUC3
HD-LM2 NGLhemtHfW6ldHnvckBCe3OjeR?= NH;YXYYxNjVxMTFOwG0> Ml7KNlQwPDhiaB?= NHTvXmhFVVOR Mn3teZBz\We3bHH0[ZMhXE6ILd8xJIRwe2ViYX7kJJRqdWViZHXw[Y5l\W62bIm= M2rpWlIxQDhyMUC3
L428 NIXPdW9HfW6ldHnvckBCe3OjeR?= NXHoTIk4OC53L{Gg{txO M4LjTlI1NzR6IHi= M1n6[GROW09? NHf6VIN2eHKnZ4XsZZRmeyCWTl[t{tEh\G:|ZTDhcoQhfGmvZTDk[ZBmdmSnboTsfS=> MVGyNFg5ODFyNx?=
KM-H2 M{f4cmZ2dmO2aX;uJGF{e2G7 MoD6NE42NzFizszN NUjTcIJSOjRxNEigbC=> MWPEUXNQ NEnsdIF2eHKnZ4XsZZRmeyCWTl[t{tEh\G:|ZTDhcoQhfGmvZTDk[ZBmdmSnboTsfS=> NEPPOW8zODh6MEGwOy=>
HD-LM2 NEPUWItHfW6ldHnvckBCe3OjeR?= NWLyVGJLOcLizszN NHm0bHMxNjJ3LUS4JIg> NIjTbWpFVVOR NFzSXXpi[3SrdnH0[ZMhVkZva1K= NIPYe2MzODh6MEGwOy=>
L428 M2\lTmZ2dmO2aX;uJGF{e2G7 NV\pWHE{OcLizszN MUmwMlI2NTR6IHi= MX\EUXNQ MUPhZ5RqfmG2ZYOgUmYuc0J? NITRO3QzODh6MEGwOy=>
KM-H2 M{iwd2Z2dmO2aX;uJGF{e2G7 MnOzNeKh|ryP M{HZeFAvOjVvNEigbC=> NYXyPHZKTE2VTx?= M1XvXYFkfGm4YYTld{BPTi2tQh?= MkjxNlA5QDBzMEe=
H526 MmPIS5Jwf3SqIFnubIljcXSrb36gRZN{[Xl? MVHJR|UxRTR6MDDuUS=> MYeyNFY5OjZ2Mx?=
H146 M{DySGdzd3e2aDDJcohq[mm2aX;uJGF{e2G7 M3jsdmlEPTB;M{Wgcm0> MnHuNlA3QDJ4NEO=
H82 MoTCS5Jwf3SqIFnubIljcXSrb36gRZN{[Xl? NFv0TJNKSzVyPUK1NEBvVQ>? MWCyNFY5OjZ2Mx?=
DMS114 MXHHdo94fGhiSX7obYJqfGmxbjDBd5NigQ>? NHr4bFdKSzVyPU[0NEBvVQ>? M{nN[|IxPjh{NkSz
HeLa NV\XN5VOTnWwY4Tpc44hSXO|YYm= MojNNE4{NTFyIN88US=> MX24JIg> M1XmO2ROW09? MUjpcoNz\WG|ZYOgZYNmfHmuYYTl[EBJOyCNOTCoTFNMQUGlKTDheEAyOCEQvF2= MlXMNlA2Ozh6NEC=
HeLa MkLZSpVv[3Srb36gRZN{[Xl? M1TwRlAvOy1zMDFOwG0> MVm4JIg> NXLUUJRyTE2VTx?= MUXpcoNz\WG|ZYOgZ4F{eGG|ZTCzJIFv\CB5IHHjeIl3[XSrb36g[I9{\SCmZYDlcoRmdnSueR?= NVfuXZNYOjB3M{i4OFA>
HeLa MYfGeY5kfGmxbjDBd5NigQ>? M3jYd|ExKM7:TdMg NInINZY3NzF{L{K0JIg> M3rVZWROW09? Ml7ibY5lfWOnczDtbZRwfGmlIHHjZ5VufWyjdHnvckBidmRiZHXsZZlm\CCyMkGg[ZhxemW|c3nvci=> MVqyNFU{QDh2MB?=
HeLa  Ml;USpVv[3Srb36gRZN{[Xl? MonHNVAh|ryPwrC= M3fzOFchcA>? MlXySG1UVw>? NFPJR|VlcXO{dYD0d{Bvd3KvYXygd5BqdmSuZTDjbIVkc3CxaX70JIZ2dmO2aX;u MmTtNlA2Ozh6NEC=
PBMC  MlG1RZBweHSxc3nzJGF{e2G7 NF\0V24xNjVxMj:zJO69VQ>? MW[yOE81QCCq NGX0XYxqdmS3Y3XzJIFxd3C2b4Ppd{Bld3OnIHHu[EB1cW2nIHTldIVv\GWwdHz5 MYOyNFQxPjl2Nx?=

... Click to View More Cell Line Experimental Data

In vivo MGCD0103 significantly inhibites growth of human tumor xenografts in nude mice and the antitumor activity correlated with induction of histone acetylation in tumors. P.O. administration of MGCD0103 (2HBr salt) significantly decreases growth of implanted advanced A549 tumors in nude mice in a dose-dependent manner after 13 days of daily administration. MGCD0103 (170 mg/kg for 2HBr salt, corresponding to 120 mg/kg of free base) significantly blockes growth of tumors compared with vehicle treatment alone with no change in body weight. In addition, MGCD0103 does not reduce WBC counts and is well tolerated. MGCD0103 is also orally active in many other human tumor xenograft models including NSCLC H1437. MGCD0103 at 80 mg/kg (free base) almost completely blocks the growth of H1437 tumors after 13 days of daily p.o. administration with no reduction of body weight in animals. [1] MGCD0103 reduces pulmonary arterial pressure more dramatically than tadalafil, a standard-of-care therapy for human pulmonary hypertension that functions as a vasodilator. Moreover, MGCD0103 improves pulmonary artery acceleration time and reduced systolic notching of the pulmonary artery flow envelope, which suggests a positive impact of the HDAC inhibitor on pulmonary vascular remodeling and stiffening. [2]

Protocol

Kinase Assay:[1]
+ Expand

HDAC enzyme assay in vitro:

The deacetylase enzyme assay is based on a homogeneous fluorescence release assay. Purified recombinant HDAC enzymes are incubated with MGCD0103 diluted in various concentrations for 10 minutes in assay buffer [25 mM HEPES (pH 8.0), 137 mM NaCl, 1 mM MgCl2, 2.7 mM KCl] at room temperature. The substrate Boc-Lys(ε-Ac)-AMC is added to the reaction for further incubation at 37 °C. The concentration of the substrate and the incubation time varies for different isotypes of HDAC enzymes. A 20-min trypsin incubation at room temperature allows the release of the fluorophore from the deacetylated substrate. The fluorescent signal is detected by fluorometer at excitation of 360 nm, emission of 470 nm, and cutoff at 435 nm.
Cell Research:[1]
+ Expand
  • Cell lines: Human mammary epithelial cells (HMEC), human foreskin fibroblasts (MRHF) cells
  • Concentrations: 0-60 μM
  • Incubation Time: 72 hours
  • Method: Human mammary epithelial cells (HMEC) and human foreskin fibroblasts (MRHF) cells in 96-well plates are incubated with MGCD0103 at various concentrations for 72 hours at 37 °C in 5% CO2. MTT is added at a final concentration of 0.5 mg/ml and incubated with the cells for 4 hours before an equal volume of solubilization buffer [50% N,N-dimethylformamide, 20% SDS (pH 4.7)] is added. After overnight incubation, solubilized dye is quantified by reading at 570 nm using a reference at 630 nm. Absorbance values are converted to cell numbers according to a standard growth curve of the relevant cell line. The concentration which reduces cell numbers to 50% relative to DMSO-treated cells is determined as MTT IC5
    (Only for Reference)
Animal Research:[1]
+ Expand
  • Animal Models: Female CD-1 nude mice bearing H1437 tumors
  • Formulation: PBS acidified with 0.1 M HCl or PEG400/0.2 M HCl saline, 40:60
  • Dosages: 80 mg/kg
  • Administration: Administered via p.o.
    (Only for Reference)

Solubility (25°C)

In vitro DMSO 13 mg/mL (32.79 mM)
Water Insoluble
Ethanol Insoluble
In vivo Add solvents to the product individually and in order(Data is from Selleck tests instead of citations):
30% PEG400+0.5% Tween80+5% Propylene glycol
For best results, use promptly after mixing.
30mg/mL

* Please note that Selleck tests the solubility of all compounds in-house, and the actual solubility may differ slightly from published values. This is normal and is due to slight batch-to-batch variations.

Chemical Information

Molecular Weight 396.44
Formula

C23H20N6O

CAS No. 726169-73-9
Storage powder
in solvent
Synonyms MG0103

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Clinical Trial Information

NCT Number Recruitment Conditions Sponsor/Collaborators Start Date Phases
NCT03565406 Recruiting Melanoma New York University School of Medicine April 25 2018 Phase 1
NCT03565406 Recruiting Melanoma New York University School of Medicine April 25 2018 Phase 1
NCT02993991 Withdrawn Squamous Cell Carcinoma Head And Neck|Squamous Cell Carcinoma Mouth|Resectable Squamous Cell Carcinoma of Oral Cavity University Health Network Toronto|Mirati Therapeutics Inc.|AstraZeneca October 10 2017 Phase 1
NCT02993991 Withdrawn Squamous Cell Carcinoma Head And Neck|Squamous Cell Carcinoma Mouth|Resectable Squamous Cell Carcinoma of Oral Cavity University Health Network Toronto|Mirati Therapeutics Inc.|AstraZeneca October 10 2017 Phase 1
NCT03220477 Recruiting Lung Cancer Memorial Sloan Kettering Cancer Center|Merck Sharp & Dohme Corp.|Astex Pharmaceuticals|Mirati Therapeutics Inc.|Stand Up To Cancer|Van Andel Research Institute August 4 2017 Phase 1
NCT03220477 Recruiting Lung Cancer Memorial Sloan Kettering Cancer Center|Merck Sharp & Dohme Corp.|Astex Pharmaceuticals|Mirati Therapeutics Inc.|Stand Up To Cancer|Van Andel Research Institute August 4 2017 Phase 1

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Cell Lines Assay Type Concentration Incubation Time Formulation Activity Description PMID