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Cat. No.: HY-152146

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HDAC-IN-50

HDAC-IN-50 is a potent and orally active FGFR and HDAC dual inhibitor with IC₅₀ values of 0.18, 1.2, 0.46, 1.4, 1.3, 1.6, 2.6, 13 nM for FGFR1, FGFR2, FGFR3, FGFR4, HDAC1, HDAC2, HDAC6, HDAC8, respectively. HDAC-IN-50 induces Apoptosis and cell cycle arrest at G0/G1 phase. HDAC-IN-50 decreases the expression of pFGFR1, pERK, pSTAT3. HDAC-IN-50 shows anti-tumor activity.

For research use only. We do not sell to patients.

CAS No.: 2653339-26-3
Formula: C₃₁H₄₁N₇O₄
Molecular Weight:575.70

Storage:

Please store the product under the recommended conditions in the Certificate of Analysis.

Data Sheet (275 KB)

HDAC-IN-50 Chemical Structure

CAS No.: 2653339-26-3

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Top Publications Citing

Use of MCE Products

Fluorescent Dye

Strong Fluorescence Signal / Multi-Disciplinary Applications / High Fluorescence Specificity

Biological Activity
- Description
- IC₅₀ & Target
- Cellular Effect
- In Vitro
- In Vivo
Chemical Information
Purity & Documentation
References
Calculators
Help & FAQs
Classifications
Bioz

Biological Activity

Description

IC₅₀ & Target^[1]

FGFR1

0.18 nM (IC₅₀)

FGFR2

1.2 nM (IC₅₀)

FGFR3

0.46 nM (IC₅₀)

FGFR4

1.4 nM (IC₅₀)

HDAC1

1.3 nM (IC₅₀)

HDAC2

1.6 nM (IC₅₀)

HDAC6

2.6 nM (IC₅₀)

HDAC8

13 nM (IC₅₀)

All HDAC Isoforms :

Cellular Effect

Cell Line	Type	Value	Description	References
A2780	IC₅₀	0.04 μM Compound: 10e	Antiproliferative activity against human A2780 cells assessed as inhibition of cell growth incubated for 72 hrs by MTT assay Antiproliferative activity against human A2780 cells assessed as inhibition of cell growth incubated for 72 hrs by MTT assay	[PMID: 36449947]
HCT-116	IC₅₀	0.82 μM Compound: 10e	Antiproliferative activity against human HCT-116 cells assessed as inhibition of cell growth incubated for 72 hrs by MTT assay Antiproliferative activity against human HCT-116 cells assessed as inhibition of cell growth incubated for 72 hrs by MTT assay	[PMID: 36449947]
Jurkat	IC₅₀	15.14 μM Compound: 10e	Antiproliferative activity against human Jurkat cells assessed as inhibition of cell growth incubated for 72 hrs by MTT assay Antiproliferative activity against human Jurkat cells assessed as inhibition of cell growth incubated for 72 hrs by MTT assay	[PMID: 36449947]
K562	IC₅₀	2.46 μM Compound: 10e	Antiproliferative activity against human K562 cells assessed as inhibition of cell growth incubated for 72 hrs by MTT assay Antiproliferative activity against human K562 cells assessed as inhibition of cell growth incubated for 72 hrs by MTT assay	[PMID: 36449947]
KATO III stomach cancer cell line	IC₅₀	0.0008 μM Compound: 10e	Antiproliferative activity against human KATO III stomach cancer cell line assessed as inhibition of cell growth incubated for 72 hrs by MTT assay Antiproliferative activity against human KATO III stomach cancer cell line assessed as inhibition of cell growth incubated for 72 hrs by MTT assay	[PMID: 36449947]
KATO III stomach cancer cell line	IC₅₀	0.8 nM Compound: 10e	Antiproliferative activity against human KATO III stomach cancer cell line assessed as inhibition of cell growth incubated for 72 hrs by MTT assay Antiproliferative activity against human KATO III stomach cancer cell line assessed as inhibition of cell growth incubated for 72 hrs by MTT assay	[PMID: 36449947]
SNU-16	IC₅₀	0.0007 μM Compound: 10e	Antiproliferative activity against human SNU-16 cells assessed as inhibition of cell growth incubated for 72 hrs by MTT assay Antiproliferative activity against human SNU-16 cells assessed as inhibition of cell growth incubated for 72 hrs by MTT assay	[PMID: 36449947]
SNU-16	IC₅₀	0.7 nM Compound: 10e	Antiproliferative activity against human SNU-16 cells assessed as inhibition of cell growth incubated for 72 hrs by MTT assay Antiproliferative activity against human SNU-16 cells assessed as inhibition of cell growth incubated for 72 hrs by MTT assay	[PMID: 36449947]

In Vitro

HDAC-IN-50 (compound 10e) (0.1, 1, 10, 100 nM; 12-84 h) induces apoptosis and cell cycle arrest at G0/G1 phase in a time and dose-dependent manner^[1].
HDAC-IN-50 (0, 1.25, 2.5, 5 µM for HCT116 cells, 0, 1, 10, 100 nM for SNU-16 cells; 36 h) decreases the expression of pFGFR1, pERK, pSTAT3 in a dose-dependent manner^[1].

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

Cell Proliferation Assay^[1]

Cell Line:

HCT116, SNU-16, KATO III, A2780, K562, Jurkat cells
Concentration:

0-30 µM
Incubation Time:

72 h
Result:

Showed antiproliferative activities with IC₅₀s of 0.82, 0.0007, 0.0008, 0.04, 2.46, 15.14 µM for HCT116, SNU-16, KATO III, A2780, K562, Jurkat cells, respectively.

Cell Cycle Analysis^[1]

Cell Line:

SNU-16 cells
Concentration:

0.1, 1, 10, 100 nM
Incubation Time:

12, 24, 36 h
Result:

Induced cell cycle arrest at G0/G1 phase in a time and dose-dependent manner.

Apoptosis Analysis^[1]

Cell Line:

SNU-16 cells
Concentration:

0.1, 1, 10, 100 nM
Incubation Time:

36, 48, 60, 72, 84 h
Result:

Induced apoptosis with the apoptotic rate increased 30.8% and 49.6% at 10, 100 nM, respectively.

Western Blot Analysis^[1]

Cell Line:

HCT116, SNU-16 cells
Concentration:

0, 1.25, 2.5, 5 µM for HCT116 cells, 0, 1, 10, 100 nM for SNU-16 cells
Incubation Time:

36 h
Result:

Reduced the expression of pFGFR1, pERK, pSTAT3 in a dose-dependent manner.

In Vivo

HDAC-IN-50 (15, 30 mg/kg; p.o.; daily for 18 days) shows anti-tumor activity in mouse^[1].
Pharmacokinetic Parameters of HDAC-IN-50 in female Sprague–Dawley (SD) rats^[1].

dose (mg/kg)	administration route	T_1/2 (h)	T_max (h)	C_max (ng/mL)	AUC_0-∞ (h·ng/mL)	CL (mL/min/kg)	V_ss (mL/kg)	F %
2	IV	0.98± 0.12	0.08	1116.63 ± 320.45	424.88 ± 89.56	80.64 ± 15.59	2788.87 ± 765.11
5	IP	1.83 ± 0.06	2	101.57 ± 23.05	491.25 ± 84.18			43.83
30	PO	0.77 ± 0.04	4	442.53 ± 46.33	1557.12 ± 355.61			24.83

Female Sprague-Dawley (SD) rats, 5 mg/kg iv; 5 mg/kg ip; 30 mg/kg p.o.^[1]

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

Animal Model:

BALB/c nude mice (HCT116 xenograft model)^[1]
Dosage:

15, 30 mg/kg
Administration:

P.o.; daily for 18 days
Result:

Inhibited the tumor growth and downregulated the expression of pSTAT3, pFGFR1, increased the expression of Ac-H3.

Chemical Information

CAS No. 2653339-26-3
Molecular Weight 575.70
Formula C₃₁H₄₁N₇O₄
SMILES

O=C(CCCCCCN1N=CC(C2=NC3=C(N=C2)C=CC(N(CCNC(C)C)C4=CC(OC)=CC(OC)=C4)=C3)=C1)NO
Shipping

Room temperature in continental US; may vary elsewhere.
Storage

Please store the product under the recommended conditions in the Certificate of Analysis.

Purity & Documentation

Select Batch:

Purity: 99.98%

Assay: 99.98%

ee.: 99.98%

Data Sheet (275 KB)
COA (2659 KB)
Elemental Analysis Report (2659 KB)
HNMR (2659 KB)
CNMR (2659 KB)
RP-HPLC (2659 KB)
NP-HPLC (2659 KB)
MS (2659 KB)
LCMS (2659 KB)
IR (2659 KB)
GC (2659 KB)
OR (2659 KB)
SDS-PAGE (2659 KB)
SEC-HPLC (2659 KB)
Other Report (2659 KB)
Handling Instructions (2659 KB)

References

[1]. Wan G, et al. Design and Synthesis of Fibroblast Growth Factor Receptor (FGFR) and Histone Deacetylase (HDAC) Dual Inhibitors for the Treatment of Cancer. J Med Chem. 2022 Dec 22;65(24):16541-16569. [Content Brief]

Calculators

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Help & FAQs

How should lyophilized recombinant proteins be reconstituted and stored?

1. Before opening the cap, centrifuge the vial at 13000 rpm for 20-30 seconds. This step will ensure that any lyophilized powder that may have adhered to the cap or walls is collected at the bottom of the vial, minimizing the risk of product loss.

Keywords

100 mg

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