연구용

PCI-34051 HDAC8 Inhibitor

Name: PCI-34051
Brand: Selleck Chemicals
SKU: S2012
Rating: 5 (56 reviews)

제품 번호: S2012

PCI-34051 is a potent and specific HDAC8 inhibitor with IC50 of 10 nM in a cell-free assay. It has greater than 200-fold selectivity over HDAC1 and 6, more than 1000-fold selectivity over HDAC2, 3, and 10. PCI-34051 induces caspase-dependent apoptosis.

PCI-34051 HDAC inhibitor Chemical Structure

화학 구조

분자량: 296.32

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품질 관리 (Quality Control)

배치: 순도: 99.79%

99.79

관련 타겟	JAK BET Histone Methyltransferase PKC PARP HIF PRMT EZH2 AMPK Sirtuin
기타 HDAC 억제제	ITF-2357 (Givinostat) Hydrochloride Monohydrate Fimepinostat (CUDC-907) Trichostatin A (TSA) Entinostat (MS-275) RGFP966 Quisinostat (JNJ-26481585) Dihydrochloride Tubastatin A Hydrochloride Tubastatin A Mocetinostat (MGCD0103) Ricolinostat (ACY-1215)

세포 배양, 처리 및 작업 농도
(Cell Culture, Treatment & Working Concentration)

세포주	분석 유형	농도	배양 시간	활성 설명	PMID
LAN1	Growth inhibition assay		72 hrs	Growth inhibition of human LAN1 cells incubated for 72 hrs by MTS assay, GI50=3.9μM	23116147
Jurkat	Growth inhibition assay		72 hrs	Growth inhibition of human Jurkat cells incubated for 72 hrs by MTS assay, GI50=11μM	23116147
NB-1	Growth inhibition assay		72 hrs	Growth inhibition of human NB-1 cells incubated for 72 hrs by MTS assay, GI50=14μM	23116147
MT2	Growth inhibition assay		72 hrs	Growth inhibition of human MT2 cells incubated for 72 hrs by MTS assay, GI50=15μM	23116147
MT4	Growth inhibition assay		72 hrs	Growth inhibition of human MT4 cells incubated for 72 hrs by MTS assay, GI50=25μM	23116147
Huh7	Antiviral assay		3 days	Antiviral activity against HCV genotype 1b infected in human Huh7 cells after 3 days by luciferase reporter gene assay, EC50=1.8μM	25490700
HuH7	Cytotoxicity assay		3 days	Cytotoxicity against human HuH7 cells assessed as inhibition of cell viability after 3 days by CellTiter 96 assay, CC50=11μM	25490700
Sf9	Function assay		5 mins	Inhibition of recombinant full-length human C-terminal FLAG-His-tagged HDAC1 expressed in baculovirus infected Sf9 insect cells using Boc-L-Lys(Ac)-AMC as substrate preincubated for 5 mins followed by substrate addition measured after 35 mins by fluoresce, IC50=3.8μM	28835796
Sf9	Function assay		5 mins	Inhibition of recombinant human full-length C-terminal His-tagged HDAC3 (395 to 489 residues)/human NCOR2 expressed in baculovirus infected Sf9 insect cells using Boc-L-Lys(Ac)-AMC as substrate pretreated for 5 mins followed by substrate addition measured, IC50=7.1μM	28835796
Sf9	Function assay		5 mins	Inhibition of recombinant human full-length C-terminal His-tagged HDAC2 expressed in baculovirus infected Sf9 insect cells using Boc-L-Lys(Ac)-AMC as substrate preincubated for 5 mins followed by substrate addition measured after 35 mins by fluorescence assay, IC50=31μM	28835796
SH-SY5Y	Cytotoxicity assay			Cytotoxicity against human SH-SY5Y cells expressing TP53 by CellTiter96 AQueous one solution cell proliferation assay	28835796
IMR5	Cytotoxicity assay			Cytotoxicity against human IMR5 cells expressing TP53 by CellTiter96 AQueous one solution cell proliferation assay	28835796
SK-N-AS	Cytotoxicity assay			Cytotoxicity against human SK-N-AS cells expressing TP53 mutation by CellTiter96 AQueous one solution cell proliferation assay	28835796
Kelly	Cytotoxicity assay			Cytotoxicity against human Kelly cells expressing TP53 mutation by CellTiter96 AQueous one solution cell proliferation assay	28835796
BE(2)-C	Cytotoxicity assay		72 hrs	Cytotoxicity against human BE(2)-C cells assessed as reduction in cell viability by measuring metabolic activity after 72 hrs by WST-8 assay, IC50=19.9μM	29190092
Sf9	Function assay		90 mins	Inhibition of recombinant human full length C-terminal FLAG-tagged HDAC1 expressed in fall armyworm Sf9 cells using fluorogenic ZMAL as substrate after 90 mins by fluorimetric analysis, IC50=28.3μM	29190092
Sf9	Function assay		90 mins	Inhibition of recombinant human full length HDAC6 expressed in fall armyworm Sf9 cells using fluorogenic ZMAL as substrate after 90 mins by fluorimetric analysis, IC50=48.2μM	29190092
BE(2)-C	Function assay	6 uM	72 hrs	Inhibition of HDAC8 in human BE(2)-C cells assessed as upregulation of p21/CDKN1 gene expression at 6 uM after 72 hrs by RT-PCR analysis relative to control	29190092
BE(2)-C	Function assay	6 uM	72 hrs	Inhibition of HDAC8 in human BE(2)-C cells assessed as upregulation of TrkA/NTRK1 gene expression at 6 uM after 72 hrs by RT-PCR analysis relative to control	29190092
BE(2)-C	Function assay	6 uM	72 hrs	Inhibition of HDAC8 in human BE(2)-C cells assessed as upregulation of TH gene expression at 6 uM after 72 hrs by RT-PCR analysis relative to control	29190092
BE(2)-C	Function assay	6 uM	6 days	Induction of outgrowth of neurofilament positive neutrite-like structures in human BE(2)-C cells at 6 uM after 6 days by DAPI-staining based microscopic analysis	29190092
A673	qHTS assay			qHTS of pediatric cancer cell lines to identify multiple opportunities for drug repurposing: Primary screen for A673 cells	29435139
SK-N-MC	qHTS assay			qHTS of pediatric cancer cell lines to identify multiple opportunities for drug repurposing: Primary screen for SK-N-MC cells	29435139
NB-EBc1	qHTS assay			qHTS of pediatric cancer cell lines to identify multiple opportunities for drug repurposing: Primary screen for NB-EBc1 cells	29435139
SK-N-SH	qHTS assay			qHTS of pediatric cancer cell lines to identify multiple opportunities for drug repurposing: Primary screen for SK-N-SH cells	29435139
NB1643	qHTS assay			qHTS of pediatric cancer cell lines to identify multiple opportunities for drug repurposing: Primary screen for NB1643 cells	29435139
LAN-5	qHTS assay			qHTS of pediatric cancer cell lines to identify multiple opportunities for drug repurposing: Primary screen for LAN-5 cells	29435139
Jurkat	Antiproliferative assay			Antiproliferative activity against human Jurkat cells by alamar blue assay, GI50=2.4μM	29505935
HUT78	Antiproliferative assay			Antiproliferative activity against human HUT78 cells by alamar blue assay, GI50=2.4μM	29505935
HSB2	Antiproliferative assay			Antiproliferative activity against human HSB2 cells by alamar blue assay, GI50=2.4μM	29505935
MOLT4	Antiproliferative assay			Antiproliferative activity against human MOLT4 cells by alamar blue assay, GI50=2.4μM	29505935
Jurkat	Antiproliferative assay		48 hrs	Antiproliferative activity against human Jurkat cells after 48 hrs by MTT assay, IC50=4.5μM	29533873
MOLT4	Antiproliferative assay		48 hrs	Antiproliferative activity against human MOLT4 cells after 48 hrs by MTT assay, IC50=9.4μM	29533873
HEL	Antiproliferative assay		48 hrs	Antiproliferative activity against human HEL cells after 48 hrs by MTT assay, IC50=10.8μM	29533873
SK-N-BE(2)	Antiproliferative assay		48 hrs	Antiproliferative activity against human SK-N-BE(2) cells after 48 hrs by MTT assay, IC50=16.9μM	29533873
PC3	Antiproliferative assay		48 hrs	Antiproliferative activity against human PC3 cells after 48 hrs by MTT assay, IC50=19.2μM	29533873
K562	Antiproliferative assay		72 hrs	Antiproliferative activity against human K562 cells after 72 hrs by MTS assay, GI50=2.01μM	30004697
K562R	Antiproliferative assay		72 hrs	Antiproliferative activity against human K562R cells after 72 hrs by MTS assay, GI50=2.2μM	30004697
HCT116	Antiproliferative assay		72 hrs	Antiproliferative activity against human HCT116 cells after 72 hrs by MTS assay, GI50=2.64μM	30004697
PC3	Antiproliferative assay		72 hrs	Antiproliferative activity against human PC3 cells after 72 hrs by MTS assay, GI50=2.66μM	30004697
MCF7	Antiproliferative assay		72 hrs	Antiproliferative activity against human MCF7 cells after 72 hrs by MTS assay, GI50=2.97μM	30004697
BL21 (DE3)	Function assay			Binding affinity to human His-thioredoxin-tagged HDAC8 expressed in Escherichia coli BL21 (DE3) cells by ITC method, Kd=0.0751μM	30347148
BL21 (DE3)	Function assay			Inhibition of human His-thioredoxin-tagged HDAC8 expressed in Escherichia coli BL21 (DE3) cells using Fluor de Lys (R)-HDAC8 as substrate by fluorometric method, IC50=0.0777μM	30347148
BL21 (DE3)	Function assay			Binding affinity to Schistosoma mansoni His-tagged HDAC8 expressed in Escherichia coli BL21 (DE3) cells by ITC method, Kd=0.367μM	30347148
BL21 (DE3)	Function assay			Inhibition of Schistosoma mansoni His-tagged HDAC8 expressed in Escherichia coli BL21 (DE3) cells using Fluor de Lys (R)-HDAC8 as substrate by fluorometric method, IC50=0.4358μM	30347148
BL21 (DE3)	Function assay			Inhibition of human His-thioredoxin-tagged HDAC8 mL6/L179I mutant expressed in Escherichia coli BL21 (DE3) cells using Fluor de Lys (R)-HDAC8 as substrate by fluorometric method, IC50=1μM	30347148
BL21 (DE3)	Function assay			Inhibition of human His-thioredoxin-tagged HDAC8 mL6 mutant expressed in Escherichia coli BL21 (DE3) cells using Fluor de Lys (R)-HDAC8 as substrate by fluorometric method, IC50=1.63μM	30347148
BL21 (DE3)	Function assay			Inhibition of human His-thioredoxin-tagged HDAC8 mL1/mL6 mutant expressed in Escherichia coli BL21 (DE3) cells using Fluor de Lys (R)-HDAC8 as substrate by fluorometric method, IC50=2.7μM	30347148
BL21 (DE3)	Function assay			Inhibition of human His-thioredoxin-tagged HDAC8 mL1/mL6/L179I mutant expressed in Escherichia coli BL21 (DE3) cells using Fluor de Lys (R)-HDAC8 as substrate by fluorometric method, IC50=5μM	30347148
Sf9	Function assay			Inhibition of C-terminal FLAG/His-tagged full length human HDAC1 expressed in baculovirus infected Sf9 insect cells using Z(Ac)Lys-AMC as substrate by fluorometric method, IC50=28.3μM	30347148
Sf9	Function assay			Inhibition of N-terminal GST-tagged full length human HDAC6 expressed in baculovirus infected Sf9 insect cells using Z(Ac)Lys-AMC as substrate by fluorometric method, IC50=48.2μM	30347148
Sf9	Function assay		40 mins	Inhibition of recombinant human full length C-terminal His-tagged HDAC8 expressed in baculovirus infected insect cells measured after 40 mins by HDAC-Glo1/2 luminescent assay, IC50=0.03162μM	30964290
SK-N-BE(2)C	Anticlonogenic assay		96 hrs	Anticlonogenic activity in human SK-N-BE(2)C cells assessed as reduction in cell proliferation incubated for 96 hrs by crystal violet staining based assay, GI50=15μM	31630054
클릭하여 더 많은 세포주 실험 데이터 보기

화학 정보, 보관 및 안정성 (Chemical Information, Storage & Stability)

분자량	296.32	화학식	C₁₇H₁₆N₂O₃	보관 (수령일로부터)	3년-20°C분말
CAS 번호	950762-95-5	SDF 다운로드		원액 보관	1년-80°C용매에 보관 1개월-20°C용매에 보관
동의어	N/A			Smiles	COC1=CC=C(C=C1)CN2C=CC3=C2C=C(C=C3)C(=O)NO

용해도 (Solubility)

In vitro
배치:

DMSO : 59 mg/mL (199.1 mM)
(수분으로 오염된 DMSO는 용해도를 감소시킬 수 있습니다. 신선하고 무수 DMSO를 사용하십시오.)

Water : Insoluble

Ethanol : Insoluble

DMSO : 59 mg/mL (199.1 mM)
(수분으로 오염된 DMSO는 용해도를 감소시킬 수 있습니다. 신선하고 무수 DMSO를 사용하십시오.)

Water : Insoluble

Ethanol : Insoluble

DMSO : 59 mg/mL (199.1 mM)
(수분으로 오염된 DMSO는 용해도를 감소시킬 수 있습니다. 신선하고 무수 DMSO를 사용하십시오.)

Water : Insoluble

Ethanol : Insoluble

DMSO : 59 mg/mL (199.1 mM)
(수분으로 오염된 DMSO는 용해도를 감소시킬 수 있습니다. 신선하고 무수 DMSO를 사용하십시오.)

Water : Insoluble

Ethanol : Insoluble

몰농도 계산기

질량	농도	부피	분자량
=	×	×

희석 계산기 분자량 계산기

In vivo 배치:
Homogeneous suspension	CMC-NA	≥5mg/ml	Taking the 1 mL working solution as an example, add 5 mg of this product to 1 ml of CMC-Na solution, mix evenly to obtain a homogeneous suspension with a final concentration of 5 mg/ml.
Homogeneous suspension	CMC-NA	≥5mg/ml	Taking the 1 mL working solution as an example, add 5 mg of this product to 1 ml of CMC-Na solution, mix evenly to obtain a homogeneous suspension with a final concentration of 5 mg/ml.
Homogeneous suspension	CMC-NA	≥5mg/ml	Taking the 1 mL working solution as an example, add 5 mg of this product to 1 ml of CMC-Na solution, mix evenly to obtain a homogeneous suspension with a final concentration of 5 mg/ml.
Clear solution	5%DMSO 1 40%PEG300 2 5%Tween80 3 50%ddH2O Selleck 연구소에서 검증되었습니다. 이 제형에 대한 조정이 필요한 경우 맞춤 테스트를 위해 당사 영업팀에 문의하십시오.	5.000mg/ml (16.87mM)	Taking the 1 mL working solution as an example, add 50 μL of 100 mg/ml clarified DMSO stock solution to 400 μL of PEG300, mix evenly to clarify it; add 50 μL of Tween80 to the above system, mix evenly to make it clear; then continue to add 500 μL of ddH2O to adjust the volume to 1 mL. The mixed solution should be used immediately for optimal results.
Homogeneous suspension	CMC-NA	≥5mg/ml	Taking the 1 mL working solution as an example, add 5 mg of this product to 1 ml of CMC-Na solution, mix evenly to obtain a homogeneous suspension with a final concentration of 5 mg/ml.

생체 내 제형 계산기 (투명한 용액)

1단계: 아래 정보 입력 (권장: 실험 중 손실을 고려하여 추가 동물 포함)

투여량: mg/kg 동물 평균 체중: g 동물당 투여량:μL 동물 수:

2단계: 생체 내 제형 입력 (이것은 계산기일 뿐 제형이 아닙니다. 용해도 섹션에 생체 내 제형이 없는 경우 먼저 당사에 문의하십시오.)

% DMSO + % + % Tween 80 + % ddH₂O

%DMSO+ %

계산 결과:

작업 농도: mg/ml;

DMSO 원액 준비 방법: mg 약물 사전 용해 μL DMSO ( 원액 농도 mg/mL, 농도가 해당 약물 배치의 DMSO 용해도를 초과하는 경우 먼저 당사에 문의하십시오. )

생체 내 제형 준비 방법: 취하다 μL DMSO 원액, 다음 추가μL PEG300, 혼합하고 투명하게 한 다음 추가μL Tween 80, 혼합하고 투명하게 한 다음 추가 μL ddH₂O, 혼합하고 투명하게 합니다.

생체 내 제형 준비 방법: 취하다 μL DMSO 원액, 다음 추가 μL 옥수수 기름, 혼합하고 투명하게 합니다.

참고: 1. 다음 용매를 추가하기 전에 액체가 투명한지 확인하십시오.
2. 용매를 순서대로 추가해야 합니다. 다음 용매를 추가하기 전에 이전 추가에서 얻은 용액이 투명한 용액인지 확인해야 합니다. 와동, 초음파 또는 뜨거운 물 중탕과 같은 물리적 방법을 사용하여 용해를 도울 수 있습니다.

작용 메커니즘 (Mechanism of Action)

Targets/IC₅₀/Ki	HDAC8 (Cell-free assay) 10 nM
시험관 내(In vitro)	PCI-34051은 10 nM의 K_i 값으로 HDAC8에 대한 유망한 효능을 가지고 있습니다. 이 화합물은 HDAC1을 포함한 다른 class I HDAC들과 비교하여 HDAC8에 대해 높은 선택성(약 5배)을 나타냅니다. 또한 HDAC1 및 HDAC6에 비해 200배 이상, HDAC2, HDAC3 및 HDAC10에 비해 1000배 이상의 선택성을 보입니다. 이 화학 물질은 6 μM의 GI50과 15%의 세포 사멸을 통해 난소암 세포주 OVCAR-3를 억제합니다. 이 화합물을 25 μM 미만의 농도로 24시간 동안 또는 그 이전 시점에 처리했을 때, 민감한 세포주에서 유의미한 튜불린이나 히스톤 아세틸화는 관찰되지 않았습니다. 이 화합물은 T세포 악성 종양에서 유래한 세포주에서만 선택적인 세포 독성 효과를 유도합니다. 이 화합물은 caspase 의존적 Apoptosis related 과정을 유도합니다. 이 화학 물질 5 μM 처리 후 다양한 시간대에서 caspase-3 활성을 측정한 결과, 12시간에서 24시간, 48시간으로 갈수록 활성 수준이 증가하는 것이 관찰되었으며, 이는 Apoptosis related의 또 다른 특징으로, 해당 시점에서의 더 높은 caspase 활성 수준과 일치합니다. 이는 외인성 Apoptosis related 경로의 특징적인 효과인 Bid 절단을 자극하지 않습니다. P116 및 J.RT3-T.5는 이 화합물에 민감하게 반응하지만, PLCγ1 결핍 J.gamma1 세포주는 유도된 Apoptosis related 정도가 현저히 감소함을 보여줍니다. 또한, 정상 상태의 칼슘 농도는 이 화학 물질에 의해 유도되는 Apoptosis related에 강한 영향을 미칩니다. 이 화합물은 미토콘드리아로부터 cytochrome c 방출을 유도합니다.
키나아제 분석	Histone deacetylase 활성
키나아제 분석	PCI-34051 특성 분석을 위해, 96-웰 분석 플레이트를 사용하는 형광 플레이트 리더에서 100 μL의 반응 부피로 측정을 수행한다. 각 이소자임에 대하여, 반응 완충액(50 mM HEPES, 100 mM KCl, 0.001% Tween-20, 5% 디메틸 설폭사이드, pH 7.4, 0-0.05% 농도의 소 혈청 알부민 첨가) 내의 HDAC 단백질을 다양한 농도의 이 화합물과 혼합하고 15분 동안 인큐베이션한다. Trypsin을 50 nM의 최종 농도로 첨가하고, 반응을 시작하기 위해 acetyl-gly-Ala-(N-acetyl-Lys)-amino-4-methylcoumarin을 25-100 μM의 최종 농도로 첨가한다. 30분의 지연 시간 후, 335 nm의 여기 파장과 460 nm의 검출 파장을 사용하여 30분 동안 형광을 측정한다. 시간에 따른 형광의 증가는 반응 속도의 측정값으로 사용된다.
생체 내(In vivo)	PCI-34051은 강력하고 특이적인 HDAC8 억제제입니다.
참조	[1] https://pubmed.ncbi.nlm.nih.gov/18256683/ [2] https://pubmed.ncbi.nlm.nih.gov/32550904/

적용 분야 (Applications)

방법	바이오마커	이미지	PMID
Immunofluorescence	SMC3 / Ac-SMC3		27072133

C1=C0/X	C1:	LOG(C1):
C2=C1/X	C2:	LOG(C2):
C3=C2/X	C3:	LOG(C3):
C4=C3/X	C4:	LOG(C4):
C5=C4/X	C5:	LOG(C5):
C6=C5/X	C6:	LOG(C6):
C7=C6/X	C7:	LOG(C7):
C8=C7/X	C8:	LOG(C8):

PCI-34051 HDAC8 Inhibitor

화학 구조

분자량: 296.32

품질 관리 (Quality Control)

세포 배양, 처리 및 작업 농도 (Cell Culture, Treatment & Working Concentration)

화학 정보, 보관 및 안정성 (Chemical Information, Storage & Stability)

용해도 (Solubility)

몰농도 계산기

생체 내 제형 계산기 (투명한 용액)

작용 메커니즘 (Mechanism of Action)

적용 분야 (Applications)

세포 배양, 처리 및 작업 농도
(Cell Culture, Treatment & Working Concentration)