2580938-58-3

2580938-58-3 structure

Name: CDK/HDAC-IN-2
Chemical Name: CDK/HDAC-IN-2
CAS Number: 2580938-58-3
Molecular Formula: C₂₅H₂₀Cl₂N₆O₃
Molecular Weight: 523.37
Catalog: Signaling Pathways Apoptosis Apoptosis
Create Date: 2022-06-29 10:37:23
Modify Date: 2024-01-09 18:58:26
CDK/HDAC-IN-2 is a potent HDAC/CDK dual inhibitor with IC50 of 6.4, 0.25, 45, >1000, 8.63, 0.30, >1000 nM for HDAC1, HDAC2, HDAC3, HDAC6,8, CDK1, CDK2, CDK4,6,7, respectively. CDK/HDAC-IN-2 shows excellent antiproliferative activities. CDK/HDAC-IN-2 induces apoptosis and cell cycle arrest at G2/M phase. CDK/HDAC-IN-2 shows potent antitumor efficacy[1].

Name	CDK/HDAC-IN-2

Description	CDK/HDAC-IN-2 is a potent HDAC/CDK dual inhibitor with IC50 of 6.4, 0.25, 45, >1000, 8.63, 0.30, >1000 nM for HDAC1, HDAC2, HDAC3, HDAC6,8, CDK1, CDK2, CDK4,6,7, respectively. CDK/HDAC-IN-2 shows excellent antiproliferative activities. CDK/HDAC-IN-2 induces apoptosis and cell cycle arrest at G2/M phase. CDK/HDAC-IN-2 shows potent antitumor efficacy[1].
Related Catalog	Signaling Pathways >> Apoptosis >> Apoptosis Research Areas >> Cancer Signaling Pathways >> Cell Cycle/DNA Damage >> CDK Signaling Pathways >> Cell Cycle/DNA Damage >> HDAC Signaling Pathways >> Epigenetics >> HDAC
Target	HDAC1:6.4 nM (IC50) HDAC2:0.25 nM (IC50) HDAC3:45 nM (IC50) HDAC6:>1000 nM (IC50) HDAC8:>1000 nM (IC50) CDK1:8.63 nM (IC50) CDK2:0.30 μM (IC50) CDK4:>1000 nM (IC50) CDK6:>1000 nM (IC50) CDK7:>1000 nM (IC50)
In Vitro	CDK/HDAC-IN-2 (compound 7c) shows antiproliferative activity with IC50s of 0.71, 1.20, 1.83, 4.19, 7.76, 4.47 µM for HCT116, A375, Hela, H460, SMMC7721, NIH 3T3 cells, respectively[1]. CDK/HDAC-IN-2 (24 h) shows anti-migration ability in A375 and H460 cells[1]. CDK/HDAC-IN-2 (0.5, 1, 2 µM) induces apoptosis and cell cycle arrest at G2/M phase[1]. CDK/HDAC-IN-2 accelerates intracellular ROS accumulation, leading to cancer cell death[1]. Cell Cycle Analysis[1] Cell Line: A375, HCT116, H460, Hela cells Concentration: 0.5, 1, 2 µM Incubation Time: 24 h Result: Induced cell cycle arrest at G2/M phase. Apoptosis Analysis[1] Cell Line: A375, HCT116, H460, Hela cells Concentration: 0.5, 1, 2 µM Incubation Time: 48 h Result: Induced cell apoptosis with the apoptosis rates of A375, HCT116 cells of 97.22%, 60.6%, respectively.
In Vivo	CDK/HDAC-IN-2 (12.5, 25 mg/kg; IP; once daily for 21 days) shows antitumor efficacy in the HCT116 xenograft model (TGI= 51.0%)[1]. Pharmacokinetic Parameters of CDK/HDAC-IN-2 in ICR male mice[1]. compound 7c Dose (mg/kg) 20 administration i.p. t1/2 (h) 2.61 Tmax (h) 2.00 Cmax (h) 7570 AUC0-∞ (ng h/mL) 30700 MRT0-∞ (ng h/mL) 3.31 F (%) 63.6ICR male mice; 20 mg/kg, i.p.[1]. Animal Model: ICR male mice[1] Dosage: 20 mg/kg Administration: IP Result: Showed good Pharmacokinetic parameters with bioavailability of F= 63.6%. Animal Model: 5-6 weeks, BALB/c female mice (HCT116 xenograft nude mice models)[1] Dosage: 12.5, 25 mg/kg Administration: IP, once daily for 21 days Result: Effectively inhibited the growth of HCT116 xenograft tumors tumor growth inhibitions (TGI) at 12.5 and 25 mg/kg of 37.0% and 51.0%, respectively.
References	[1]. Cheng C, et al. Discovery of novel cyclin-dependent kinase (CDK) and histone deacetylase (HDAC) dual inhibitors with potent in vitro and in vivo anticancer activity. Eur J Med Chem. 2020 Mar 1;189:112073.

Molecular Formula	C₂₅H₂₀Cl₂N₆O₃
Molecular Weight	523.37

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