2. Cell Cycle/DNA Damage Epigenetics
  3. HDAC
  4. HDAC-IN-45

HDAC-IN-45 (Compound 14) is a small molecule HDAC inhibitor and has anticancer activity, also can forms a hydrogen bond with residue Y303. HDAC-IN-45 (Compound 14) has substantial inhibitory effects towards HDAC1, 2 and 3 isoforms with IC50 values of 0.108, 0.585 and 0.563 μM respectively.

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HDAC-IN-45

HDAC-IN-45 Estructura química

No. CAS : 2421122-61-2

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HDAC-IN-45 Related Antibodies

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HDAC HDAC1 HDAC2 HDAC3 HDAC4 HDAC5 HDAC6 HDAC7 HDAC8 HDAC9 HDAC10 HDAC11 HD1 HD2

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Descripciòn

HDAC-IN-45 (Compound 14) is a small molecule HDAC inhibitor and has anticancer activity, also can forms a hydrogen bond with residue Y303. HDAC-IN-45 (Compound 14) has substantial inhibitory effects towards HDAC1, 2 and 3 isoforms with IC50 values of 0.108, 0.585 and 0.563 μM respectively[1].

IC50 & Target[1]

HDAC1

0.108 μM (IC50)

HDAC2

0.585 μM (IC50)

HDAC3

0.563 μM μM (IC50)

HDAC6

﹥10 μM (IC50)

HDAC8

6.81 μM (IC50)

Cellular Effect
Cell Line Type Value Description References
HepG2 IC50
2.44 μM
Compound: 14
Antiproliferative activity against human HepG2 cells assessed as cell growth inhibition measured after 72 hrs by MTT assay
Antiproliferative activity against human HepG2 cells assessed as cell growth inhibition measured after 72 hrs by MTT assay
[PMID: 32325365]
MDA-MB-231 IC50
1.48 μM
Compound: 14
Antiproliferative activity against human MDA-MB-231 cells assessed as cell growth inhibition measured after 72 hrs by MTT assay
Antiproliferative activity against human MDA-MB-231 cells assessed as cell growth inhibition measured after 72 hrs by MTT assay
[PMID: 32325365]
In Vitro

HDAC-IN-45 (Compound 14) suppresses the growth of triple-negative breast cancer cells MDA-MB-231 (IC50 = 1.48 μM), MDA-MB-468 (IC50= 0.65 μM), and liver cancer cells HepG2 (IC50= 2.44 μM).
HDAC-IN-45 has equally virulent in the HDAC-sensitive cell lines (YCC11) and -resistant gastric cell lines (YCC3/7) and overcome HDACi resistance. HDAC-IN-45 has a high toxicity (IC50= 0.33 μM) in three leukemic cell lines, K-562, KG-1 and THP-1.
HDAC-IN-45 (Compound 14) has substantial inhibitory effects towards HDAC1, 2 and 3 isoforms with IC50 values of 0.108, 0.585 and 0.563 μM respectively.
HDAC-IN-45 (Compound 14) can elevate acetylation level of histone H3 and expression of p21.
HDAC-IN-45 (Compound 14) exerts a dose-dependent upregulation of ac-H3K9 in MDA-MB-231 cells, triggers cell cycle arrest in G1 phase.
HDAC-IN-45 (Compound 14) exhibits a potent antitumor efficacy in xenograft mouse model[1].

MedChemExpress (MCE) has not independently confirmed the accuracy of these methods. They are for reference only.

HDAC-IN-45 Related Antibodies

Cell Proliferation Assay[1]

Cell Line: Triple-negative breast cancer cells; liver cancer cells; YCC11 and YCC3/7
Concentration: a series of concentration
Incubation Time: 72 h
Result: Inhibited the cell growth viability of HepG2 and triple-negative breast cancer cells.

Cell Cytotoxicity Assay[1]

Cell Line: Three leukemic cell lines (K-562, KG-1 and THP-1); YCC3/7 and YCC11 cell lines
Concentration: a series of concentration
Incubation Time: 72 h
Result: Showed a potent anti-cancer effect, exhibited high sensitivities and strong toxicities with IC50 values below micromolar in leukemic cell lines.

Western Blot Analysis[1]

Cell Line: MDA-MB-231 cells
Concentration: 2 µM
Incubation Time: 24 h
Result: Elevated acetylation level of histone H3 and expression of p21.

Cell Cycle Analysis[1]

Cell Line: MDA-MB-231cells
Concentration: 4 µM
Incubation Time: 24 h
Result: Arrested cell cycle in G1 and trigger apoptosis.
In Vivo

HDAC-IN-45 (Compound 14) (25 mg/kg or 50mg/kg; i.p.; every day) exhibits a potent antitumor efficacy in human MDA-MB-231 breast cancer xenograft mouse model[1].

MedChemExpress (MCE) has not independently confirmed the accuracy of these methods. They are for reference only.

Animal Model: Human MDA-MB-231 breast cancer xenograft mouse model[1]
Dosage: 25 mg/kg or 50mg/kg
Administration: 25 mg/kg or 50mg/kg; i.p.; every day.
Result: Exhibited a potent antitumor efficacy.
Peso molecular

502.93

Fòrmula

C25H20ClFN8O
No. CAS
SMILES

O=C(NC1=CC=CC=C1N)C2=CC=C(CN3C=NC4=C(NC5=CC=C(F)C(Cl)=C5)N=C(N)N=C34)C=C2
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Room temperature in continental US; may vary elsewhere.
Almacenamiento

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Referencias
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HDAC-IN-45 Related Classifications

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Keywords:

HDAC-IN-452421122-61-2HDACHistone deacetylasesHDAC inhibitortumorcancerInhibitorinhibitorinhibit

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