HDAC-IN-57

SKU: orb1819113

Description

HDAC-IN-57 is a potent, orally bioavailable pan-HDAC inhibitor with additional activity against LSD1. It demonstrates strong anti-tumor effects by inducing apoptosis in cancer cells, making it a valuable tool for epigenetic and oncology research in both in vitro and in vivo models.

Research Area

Cell Biology, Epigenetics & Chromatin, Molecular Biology

Key Properties

• CAS Number: 2716217-79-5
• MW: 377.39
• Purity: 98.38% (May vary between batches)
• Formula: C₂₁H₁₉N₃O₄
• SMILES: C(NCC1=CC=C(C(NO)=O)C=C1)(=O)C=2C=C(N=CC2)C3=CC=C(OC)C=C3
• Target: Apoptosis|||HDAC
• Solubility: DMSO:45 mg/mL (119.24 mM)

Bioactivity

• Target IC50:
  HDAC6:2.4 nM|HDAC8:107 nM|HDAC1:2.07 nM|HDAC2:4.71 nM
• In Vivo:
  HDAC-IN-57 (Compound 5e) (1 mg/kg, i.v.; 10 mg/kg, p.o.) demonstrated T1/2 of 0.37 hours (IV) and 2.75 hours (OR), with an oral bioavailability (F%) of 10.6%. HDAC-IN-57 (25 or 50 mg/kg gavage; once daily for 21 days) achieved dose-dependent tumor growth inhibition in the NOD-SCID mouse MGC-803 xenograft model.
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• In Vitro:
  HDAC-IN-57 (Compound 5e) (1.0 μM, 2.5 μM, 5.0 μM; 48 h) effectively suppresses the migration and invasion of solid tumor cell lines, namely MGC-803, A549, and HCT-116. Furthermore, HDAC-IN-57 demonstrates significant growth inhibition in these solid tumor cell lines, exhibiting IC50 values of 0.45 μM, 1.48 μM, and 0.57 μM, respectively. Additionally, HDAC-IN-57 elicits apoptosis in MGC-803 and HCT-116 cells in a dose-dependent manner. It also exerts inhibitory effects on LSD1 and HDACs within the MGC-803 and HCT-116 cell lines. Moreover, HDAC-IN-57 induces cell cycle arrest in the G2/M phase for both MGC-803 and HCT-116 cells. HDAC-IN-57 has high metabolic stability in vitro. Retains 86.1% and 87.4% of the parent compound after 1 hour of incubation in human liver (HLM) and rat liver microsomes (RLM), respectively, with a T1/2 of over 120 minutes.
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Storage & Handling

• Storage: -20°C
• Expiration Date: 12 months from date of receipt.
• Disclaimer: For research use only

Alternative Names

Apoptosis, HDAC1, HDAC6, HDAC2, HDAC8, HDACIN57, HDAC-IN-57

Compound Identifiers

PubChem CID

168429726