Epigeneics include any process that alters gene activity without changing the DNA sequence, and leads to modifications that can be transmitted to daughter cells. Many types of epigenetic processes have been identified—they include DNA methylation, alteration in the structure of histone proteins and gene regulation by small noncoding microRNAs.

Many different DNA and histone modifications have been identified to determine the epigenetic landscape. DNA methylation is mainly mediated by DNA-methyl transferase (DNMT), there are two known types of DNMT, namely DNMT1, which preserves preexisting pattern of methylation after cell replication, and DNMT3A/B, so-called “de novo” DNMT, which methylate previously unmethylated DNA. Histone modifications mainly include acetylation, methylation, phosphorylation, and ubiquitination. The acetylation of histones can be mediated by histone acetyltransferases (HATs) and histone deacetyltransferases (HDACs), while Histhone demethylation is performed by two classes of histone demethylases: lysine-specific demethylase (LSD) family proteins (LSD1 and LSD2) and JmjC domaincontaining histone demethylase (JHDM). Furthermore, enzymes involved in epigenetic modifications can also be governed by miRNAs. For example, miR-34a can directly inhibit the activities of SIRT1 to regulate cholesterol homeostasis.

The accumulated evidence indicates that many genes, diseases, and environmental substances are part of the epigenetics picture. At the FDA, scientists are investigating many drugs that function through epigenetic mechanisms. Drugs that inhibit DNA methylation or histone deacetylation have been studied for the reactivation of tumor suppressor genes and repression of cancer cell growth. Epigenetic inhibitors can also work alone or in combination with other therapeutic agents.

References:
[1] Bob Weinhold. Environ Health Perspect. 2006 Mar; 114(3): A160–A167.
[2] Xu W, et al. Genet Epigenet. 2016 Sep 25;8:43-51.
[3] Biswas S, et al. Pharmacol Ther. 2017. doi: 10.1016/j.pharmthera.2017.02.011.
[4] Perri F, et al. Crit Rev Oncol Hematol. 2017 Mar;111:166-172.


Anti-infection >
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Antibody-drug Conjugate >
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AU-15330

AU-15330 is a proteolysis-targeting chimera (PROTAC) degrader of the SWI/SNF ATPase subunits, SMARCA2 and SMARCA4. AU-15330 induces potent inhibition of tumour growth in xenograft models of prostate cancer and synergizes with the AR antagonist enzalutamide. AU-15330 induces disease remission in castration-resistant prostate cancer (CRPC) models without toxicity[1].

  • CAS Number: 2380274-50-8
  • MF: C39H49N9O5S
  • MW: 755.93
  • Catalog: Epigenetic Reader Domain
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

7-Chloro-4-(piperazin-1-yl)quinoline

7-Chloro-4-(piperazin-1-yl)quinolone is an important scaffold in medicinal chemistry. 7-Chloro-4-(piperazin-1-yl)quinolone is a potent sirtuin inhibitor and also inhibits the serotonin uptake (IC50 of 50 μM). 7-Chloro-4-(piperazin-1-yl)quinolone exhibits antimalarial activity on D10 and K1 strains of P. falciparum with IC50s of 1.18 μM and 0.97 μM, respectively[1].

  • CAS Number: 837-52-5
  • MF: C13H14ClN3
  • MW: 247.72300
  • Catalog: Sirtuin
  • Density: 1.257 g/cm3
  • Boiling Point: 433.5ºC at 760 mmHg
  • Melting Point: 113-116ºC
  • Flash Point: 216ºC

Methylstat

Methylstat is a potent histone demethylases inhibitor. Methylstat shows anti-proliferative activity with low cytotoxicity. Methylstat induces apoptosis and cell cycle arrest at G0/G1 phase. Methylstat increases the expression of p53 and p21 protein levels. Methylstat inhibits angiogenesis induced by various cytokines. Methylstat can be used as a chemical probe for addressing its role in angiogenesis[1][2].

  • CAS Number: 1310877-95-2
  • MF: C28H31N3O6
  • MW: 505.562
  • Catalog: Apoptosis
  • Density: 1.3±0.1 g/cm3
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

Alisertib sodium

Alisertib (MLN 8237) sodium is an orally active and selective Aurora A kinase inhibitor (IC50=1.2 nM), which binds to Aurora A kinase resulting in mitotic spindle abnormalities, mitotic accumulation. Alisertib sodium induces apoptosis and autophagy through targeting the AKT/mTOR/AMPK/p38 pathway in leukemic cells. Antitumor activity[1][2][3].

  • CAS Number: 1028486-06-7
  • MF: C27H19ClFN4NaO4
  • MW: 540.90500
  • Catalog: Apoptosis
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

SIRT6 activator 12q

SIRT6 activator 12q is potent, selective and orally active SIRT6 activator with IC50 values of 171.20, >200, >200, >200, 0.58 µM for SIRT1, SIRT2, SIRT3, SIRT5, SIRT6, respectively. SIRT6 activator 12q inhibits cell growth and migration. SIRT6 activator 12q induces Apoptosis and cell cycle arrest at G2 phase. SIRT6 activator 12q shows anticancer activity[1].

  • CAS Number: 2601734-99-8
  • MF: C31H22N2O2
  • MW: 454.53
  • Catalog: Apoptosis
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

Dcg066

DCG066 is a G9a inhibitor in vitro.

  • CAS Number: 494786-13-9
  • MF: C30H31F6N3O2
  • MW: 579.58
  • Catalog: Apoptosis
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

LEM-14

LEM-14 is a specific inhibitor of histone lysine methyltransferase NSD2 (MMSET/WHSC1) with in vitro IC50 of 132 uM, and that is inactive against the closely related NSD1 and NSD3.

  • CAS Number: 1814881-70-3
  • MF: C25H26N4O4S
  • MW: 478.567
  • Catalog: Histone Methyltransferase
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

Remetinostat

Remetinostat (SHP-141) is a hydroxamic acid-based inhibitor of histone deacetylase enzymes (HDAC) which is under development for the treatment of cutaneous T-cell lymphoma[1].

  • CAS Number: 946150-57-8
  • MF: C16H21NO6
  • MW: 323.34100
  • Catalog: HDAC
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

Curculigoside

Curculigoside is the main saponin in C. orchioide, exerts significant antioxidant, anti-osteoporosis, antidepressant and neuroprotection effects. Curculigoside possesses significant anti-arthritic effects in vivo and in vitro via regulation of the JAK/STAT/NF-κB signaling pathway[1].

  • CAS Number: 85643-19-2
  • MF: C22H26O11
  • MW: 466.435
  • Catalog: JAK
  • Density: 1.5±0.1 g/cm3
  • Boiling Point: 734.9±60.0 °C at 760 mmHg
  • Melting Point: 158-160ºC
  • Flash Point: 253.8±26.4 °C

S 2101

S 2101 is a lysine-specific demethylase 1 (LSD1) inhibitor with an IC50 of 0.99 μM, Ki of 0.61 μM and Kinact/Ki of 4560 M/s.

  • CAS Number: 1239262-36-2
  • MF: C16H16ClF2NO
  • MW: 311.75
  • Catalog: Histone Demethylase
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

LSD1-UM-109

LSD1-UM-109 is a ighly potent and reversible LSD1 inhibitor with an IC50 of 3.1 nM. LSD1-UM-109 inhibits cell growth with IC50 values of 0.6 nM in the MV4;11 acute leukemia cell line and 1.1 nM in the H1417 small-cell lung cancer cell line[1].

  • CAS Number: 2252446-26-5
  • MF: C29H27FN6
  • MW: 478.56
  • Catalog: Histone Demethylase
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

CBP/p300-IN-19

CBP/p300-IN-19 is a potent p300/CBP HAT inhibitor with IC50s of 1.4, 2.2, >100, >100 µM for p300-HAT, CBP-HAT, PCAF, Myst3, respectively. CBP/p300-IN-19 shows antitumor activity[1].

  • CAS Number: 2592638-13-4
  • MF: C30H27N3O3
  • MW: 477.55
  • Catalog: Histone Acetyltransferase
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

Nimucitinib

Nimucitinib is a Janus kinase (JAK) inhibitor[1].

  • CAS Number: 2740557-24-6
  • MF: C25H26F2N6O2
  • MW: 480.51
  • Catalog: JAK
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

NSC 33994

NSC 33994 (G6) is a selective JAK2 inhibitor, with an IC50 of 60 nM[1].

  • CAS Number: 82058-16-0
  • MF: C28H42N2O2
  • MW: 438.64500
  • Catalog: JAK
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

EPZ-719

EPZ-719 is a novel and potent SETD2 inhibitor ( IC50 = 0.005 μM) with a high selectivity over other histone methyltransferases.

  • CAS Number: 2697176-16-0
  • MF: C22H31FN4O3S
  • MW: 450.57
  • Catalog: Histone Methyltransferase
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

HDAC-IN-31

HDAC-IN-31 is a potent, selective and orally active HDAC inhibitor with IC50s of 84.90, 168.0, 442.7, >10000 nM for HDAC1, HDAC2, HDAC3, HDAC8, respectively. HDAC-IN-31 induces apoptosis and cell cycle arrests at G2/M phase. HDAC-IN-31 shows good antitumor efficacy. HDAC-IN-31 has the potential for the research of diffuse large B-cell lymphoma[1].

  • CAS Number: 1916505-13-9
  • MF: C25H24N4O2
  • MW: 412.48
  • Catalog: Apoptosis
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

ZM 449829

ZM 449829 is a potent, selective and ATP competitive inhibitor of JAK3, with a pIC50 of 6.8. ZM 449829 will be useful pharmacological tools for the investigation of the JAK3[1].

  • CAS Number: 4452-06-6
  • MF: C13H10O
  • MW: 182.218
  • Catalog: JAK
  • Density: 1.1±0.1 g/cm3
  • Boiling Point: 319.3±15.0 °C at 760 mmHg
  • Melting Point: N/A
  • Flash Point: 137.5±15.3 °C

EPZ 004777

EPZ004777 is a potent, selective DOT1L inhibitor with an IC50 of 0.4 nM.

  • CAS Number: 1338466-77-5
  • MF: C28H41N7O4
  • MW: 539.670
  • Catalog: Histone Methyltransferase
  • Density: 1.3±0.1 g/cm3
  • Boiling Point: 740.7±60.0 °C at 760 mmHg
  • Melting Point: N/A
  • Flash Point: 401.7±32.9 °C

GSK 2801

GSK2801 is a potent, selective and cell active acetyl-lysine competitive inhibitor of BAZ2A(Kd=136 nM) and BAZ2B(Kd=257 nM) bromodomains.IC50 value: 136 nM/257 nM(Kd, BAZ2A/BAZ2B) [1]Target: BAZ2A/2B inhibitorGSK2801 binds to BAZ2 bromodomains with dissociation constants (KD) of 136 and 257 nM for BAZ2B and BAZ2A, respectively. Crystal structures demonstrated a canonical acetyl-lysine competitive binding mode. Cellular activity was demonstrated using fluorescent recovery after photobleaching (FRAP) monitoring displacement of GFP-BAZ2A from acetylated chromatin. A pharmacokinetic study in mice showed that GSK2801 had reasonable in vivo exposure after oral dosing, with modest clearance and reasonable plasma stability. Thus, GSK2801 represents a versatile tool compound for cellular and in vivo studies to understand the role of BAZ2 bromodomains in chromatin biology.

  • CAS Number: 1619994-68-1
  • MF: C20H21NO4S
  • MW: 371.450
  • Catalog: Epigenetic Reader Domain
  • Density: 1.2±0.1 g/cm3
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

PTG-0861

PTG-0861 (JG-265) is a novel potent, selective HDAC6 inhibitor with IC50 of 5.92 nM, >36-fold selectivity over other HDACs.PTG-0861 (JG-265) displays HDAC6 cellular target engagement with EC50 of 0.59 uM (ELISA), has in vitro and cellular selectivity superior to HDAC6-selective inhibitor citarinostat (ACY-241).PTG-0861 (JG-265) demonstrates potency against several blood cancer cell lines (e.g. MV4-11, MM1S), whilst showing limited cytotoxicity against non-malignant cells and CD-1 mice.PTG-0861 (JG-265) exihibits promising in vitro pharmacokinetics achieved with good safety profile in cells and in vivo.

  • CAS Number: 2494082-34-5
  • MF: C15H9F5N2O3
  • MW: 360.24
  • Catalog: Apoptosis
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

Sodium 2-propylpentanoate

Valproic acid sodium salt is an anticonvulsants used to treat epilepsy, bipolar disorder and migraines. Valproic acid inhibits histone deacetylase 1 (HDAC1) with an IC50 of 0.4 mM.

  • CAS Number: 1069-66-5
  • MF: C8H15NaO2
  • MW: 166.193
  • Catalog: Autophagy
  • Density: 1.0803 g/cm3
  • Boiling Point: 220ºC at 760 mmHg
  • Melting Point: 300 °C
  • Flash Point: STABILITY

JIB-04

JIB-04 is a pan-selective Jumonji histone demethylase inihibitor with IC50s of 230, 340, 855, 445, 435, 1100, and 290 nM for JARID1A, JMJD2E, JMJD3, JMJD2A, JMJD2B, JMJD2C, and JMJD2D, respectively.

  • CAS Number: 199596-05-9
  • MF: C17H13ClN4
  • MW: 308.765
  • Catalog: Histone Demethylase
  • Density: 1.2±0.1 g/cm3
  • Boiling Point: 472.9±55.0 °C at 760 mmHg
  • Melting Point: N/A
  • Flash Point: 239.8±31.5 °C

CBP/p300-IN-19 hydrochloride

CBP/p300-IN-19 hydrochloride is a potent and selective p300/CBP HAT inhibitor with IC50s of 1.4, 2.2, >100, >100 µM for p300-HAT, CBP-HAT, PCAF, Myst3, respectively. CBP/p300-IN-19 hydrochloride shows antitumor activity[1].

  • CAS Number: 2592638-14-5
  • MF: C30H28ClN3O3
  • MW: 514.01
  • Catalog: Histone Acetyltransferase
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

PROTAC BRD4 Degrader-1

PROTAC BRD4 Degrader-1 is an efficacious BRD4 degrader with an IC50 of 41.8 nM against BRD4 BD1. PROTAC BRD4 Degrader-1 can effectively degrade BRD4 protein and suppress c-Myc expression[1].

  • CAS Number: 2133360-00-4
  • MF: C40H37N9O8
  • MW: 771.78
  • Catalog: Epigenetic Reader Domain
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

N-(3-(Imidazo[2,1-b]thiazol-6-yl)phenyl)-2-methoxybenzamide

Sirtuin modulator 2 (Compound 132) is a sirtuin modulator with an ED50 equal or less than 50 μM[1].

  • CAS Number: 667910-69-2
  • MF: C19H15N3O2S
  • MW: 349.41
  • Catalog: Sirtuin
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

4-Phenylbutyric acid

Benzenebutyric acid is an inhibitor of HDAC and endoplasmic reticulum (ER) stress, used in cancer and infection research.

  • CAS Number: 1821-12-1
  • MF: C10H12O2
  • MW: 164.201
  • Catalog: HDAC
  • Density: 1.1±0.1 g/cm3
  • Boiling Point: 290.7±9.0 °C at 760 mmHg
  • Melting Point: 49-52ºC
  • Flash Point: 187.9±13.9 °C

Tenovin-1

Tenovin-1 is an inhibitor of sirtuin 1 and sirtuin 2, an activator of p53 and may have potential in the management of cancer.

  • CAS Number: 380315-80-0
  • MF: C20H23N3O2S
  • MW: 369.480
  • Catalog: MDM-2/p53
  • Density: 1.238±0.06 g/cm3 (20 ºC 760 Torr)
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

BAZ2-ICR

BAZ2-ICR is a potent, selective, cell active and orally active BAZ2A/B bromodomains inhibitor with IC50s of 130 nM and 180 nM, and Kds of 109 nM and 170 nM, respectively. BAZ2-ICR shows 10-15-fold selectivity for binding BAZ2A/B over CECR2 and >100-fold selectivity over all other bromodomains. BAZ2-ICR is an epigenetic chemical probe[1].

  • CAS Number: 1665195-94-7
  • MF: C20H19N7
  • MW: 357.412
  • Catalog: Epigenetic Reader Domain
  • Density: 1.3±0.1 g/cm3
  • Boiling Point: 632.8±55.0 °C at 760 mmHg
  • Melting Point: N/A
  • Flash Point: 336.5±31.5 °C

Y06137

Y06137 is a potent and selective BET inhibitor, which binds to the BRD4(1) bromodomain with a Kd of 81 nM[1]. Antitumor activity[1].

  • CAS Number: 2226534-49-0
  • MF: C27H32N4O2
  • MW: 444.57
  • Catalog: Epigenetic Reader Domain
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

3-Deazaneplanocin A (hydrochloride)

3-Deazaneplanocin A hydrochloride is a potent histone methyltransferase EZH2 inhibitor.

  • CAS Number: 120964-45-6
  • MF: C12H15ClN4O3
  • MW: 298.725
  • Catalog: Epigenetic Reader Domain
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: 168-169℃
  • Flash Point: N/A