2653339-26-3

Name	1H-Pyrazole-1-heptanamide, 4-[7-[(3,5-dimethoxyphenyl)[2-[(1-methylethyl)amino]ethyl]amino]-2-quinoxalinyl]-N-hydroxy-
CAS	2653339-26-3
Molecular Formula	C31H41N7O4
Molecular Weight	575.7
MOL File	2653339-26-3.mol

Synonyms

HDAC-IN-50 1H-Pyrazole-1-heptanamide, 4-[7-[(3,5-dimethoxyphenyl)[2-[(1-methylethyl)amino]ethyl]amino]-2-quinoxalinyl]-N-hydroxy-

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Chemical Properties

density	1.23±0.1 g/cm3(Predicted)
pka	9.48±0.20(Predicted)

Hazard Information

Uses

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[1].

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]

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.

IC 50

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)

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. DOI:10.1021/acs.jmedchem.2c01413

Supplier

Shanghai Beckham Medical Technology Co., Ltd

Telephone 13816613772

Websitehttps://www.chemicalbook.com/ShowSupplierProductsList16976/0_EN.htm

TargetMol Chemicals Inc.

Telephone 15002134094

Websitehttps://www.targetmol.cn/

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