VE-821

VE-821(ATR inhibitor IV) is a potent and selective ATP competitive inhibitor of ATR with K_i/IC50 of 13 nM/26 nM in cell-free assays, shows inhibition of H2AX phosphorylation, minimal activity against PIKKs ATM, DNA-PK, mTOR and PI3Kγ.

CAS No. 1232410-49-9

サイズ	価格(税別)	在庫状況
10mM (1mL in DMSO)	JPY 29500	国内在庫あり
10mg	JPY 22000	国内在庫あり
50mg	JPY 70500	国内在庫あり
1g	JPY 448500	国内在庫なし(納期7~10日)

代表番号: 045-509-1970\|電子メール：[email protected] よく尋ねられる質問

文献中Selleckの製品使用例（235）

製品安全説明書

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VE-821関連製品

関連ターゲット	ATM ATR	もっと見る
関連化合物ライブラリー	FDA-approved Drug Library Natural Product Library Apoptosis Compound Library DNA Damage/DNA Repair compound Library Cell Cycle compound library	もっと見る

シグナル伝達経路

ATM/ATRシグナル伝達経路

ATM/ATR阻害剤の選択性比較

Cell Data

Cell Lines	Assay Type	Concentration	Incubation Time	活性情報	PMID
TF-1	Growth Inhibition Assay	0.011–8 μM	96 h	enhances the antiproliferative effects of MK1775	24179152
HCT-116 p53-/-	Cytotoxicity Assay	1/3/10 μM	1 h	potentiates the cytotoxicity of both camptothecin and LMP-400	25269479
HCT-116 p53+/+	Cytotoxicity Assay	1/3/10 μM	1 h	potentiates the cytotoxicity of both camptothecin and LMP-400	25269479
HT-29	Cytotoxicity Assay	1/3/10 μM	1 h	potentiates the cytotoxicity of both camptothecin and LMP-400	25269479
MDA-MB-231	Cytotoxicity Assay	1/3/10 μM	1 h	potentiates the cytotoxicity of both camptothecin and LMP-400	25269479
HEL	Growth Inhibition Assay	0.011–8 μM	96 h	enhances the antiproliferative effects of MK1775	24179152
THP-1	Growth Inhibition Assay	0.011–8 μM	96 h	enhances the antiproliferative effects of MK1775	24179152
HL-60	Function Assay	10 mM	0.5 h	reduces phosphorylation of Chk1 at serine 345	23934411
OVCAR-8	Function Assay	1 µM	24 h	abrogates chemotherapy-induced cell cycle arrest	23548269
PANC-1	Growth Inhibition Assay	0.11-9 μM	1 h	inhibits the cell viability in a dose- dependent manner	22825331
MiaPaCa	Growth Inhibition Assay	0.11-9 μM	1 h	inhibits the cell viability in a dose- dependent manner	22825331
PSN-1	Growth Inhibition Assay	0.11-9 μM	1 h	inhibits the cell viability in a dose- dependent manner	22825331
K562	Apoptosis assay	10 uM	48 hrs	Induction of apoptosis in human K562 cells assessed as gammaH2AX/53BP1 levels at 10 uM after 48 hrs by DAPI staining based immunofluorescence microscopy in presence of 25 to 250 pM (-)-lomaiviticin A	27177826
MDCK	Cytotoxicity assay	500 nM	1 hr	Cytotoxicity against MDCK cells expressing carbonic anhydrase 9 assessed as reduction in cell viability at 500 nM pretreated for 1 hr followed by 2 Gy irradiation under normoxic condition by Alamar blue assay	27823879
MDCK	Cytotoxicity assay	500 nM	1 hr	Cytotoxicity against MDCK cells expressing carbonic anhydrase 9 assessed as reduction in cell viability at 500 nM pretreated for 1 hr followed by 4 Gy irradiation under anoxic condition by Alamar blue assay	27823879
MDCK	Cytotoxicity assay	500 nM	72 hrs	Cytotoxicity against MDCK cells expressing carbonic anhydrase 9 assessed as reduction in cell viability at 500 nM pretreated for 72 hrs followed by 72 hrs incubation under normoxic condition by Alamar blue assay	27823879
MDCK	Cytotoxicity assay	500 nM	72 hrs	Cytotoxicity against MDCK cells expressing carbonic anhydrase 9 assessed as reduction in cell viability at 500 nM after 72 hrs under anoxic condition by Alamar blue assay	27823879
SJSA1	Growth Inhibition Assay			IC50～9 μM	25593184
MG63	Growth Inhibition Assay			IC50～9 μM	25593184
HUO9	Growth Inhibition Assay			IC50～0.8 μM	25593184
NOS1	Growth Inhibition Assay			IC50～0.8 μM	25593184
CAL72	Growth Inhibition Assay			IC50～0.8 μM	25593184
SAOS2	Growth Inhibition Assay			IC50～0.8 μM	25593184
U2OS	Growth Inhibition Assay			IC50～0.8 μM	25593184
SJ-GBM2	qHTS assay			qHTS of pediatric cancer cell lines to identify multiple opportunities for drug repurposing: Primary screen for SJ-GBM2 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
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生物活性

製品説明

VE-821(ATR inhibitor IV) is a potent and selective ATP competitive inhibitor of ATR with K_i/IC50 of 13 nM/26 nM in cell-free assays, shows inhibition of H2AX phosphorylation, minimal activity against PIKKs ATM, DNA-PK, mTOR and PI3Kγ.

Targets

ATR ^[1]
(Cell-free assay)

13 nM(Ki)

In Vitro
In vitro	VE-821(ATR inhibitor IV) shows excellent selectivity for ATR with minimal cross-reactivity against the related PIKKs ATM, DNA-PK, mTOR and PI3K (K_is of 16 μM, 2.2 μM, >1 μM and 3.9 μM, respectively. VE-821 alone commits a large fraction of cancer cell populations to death, but it only reversibly limits cell cycle progression in normal cells, with minimal death or long-term detrimental effects. VE-821 along with cisplatin treatment shows the most marked synergy. ^[1] VE-821(ATR inhibitor IV) inhibits H2AX cell growth with IC50 of 800 nM. ^[2]
Kinase Assay	Kinase inhibition
Kinase Assay	The ability of compounds to inhibit ATR, ATM or DNAPK kinase activity istested using a radiometric-phosphate incorporation assay. A stock solution isprepared consisting of the appropriate buffer, kinase, and target peptide. To this isadded the compound of interest, at varying concentrations in DMSO to a final DMSO concentration of 7%. Assays are initiated by addition of an appropriate [γ-³³P]ATP solution and incubated at 25 ℃. Assays are stopped, after the desired time course, by addition of phosphoric acid and ATP to a final concentration of 100 mM and 0.66μM, respectively. Peptides are captured on a phosphocellulose membrane, prepared as per manufacturer
細胞実験	細胞株	H2AX cells
	濃度	--
	反応時間	96 hours
	実験の流れ	Cells are plated in 96-well plates and allowed to adhere overnight. The following day, compounds are added at the indicated concentrations in a final volume of 200μL, and the cells are then incubated for 96 h. MTS reagent (40μL) isthen added, and 1 h later, absorbance at 490 nm ismeasured using a SpectraMax Plus 384 plate reader. Synergy and antagonism are assessed using Macsynergy software.
実験結果図	Methods	Biomarkers	結果図	PMID
	Western blot	E-cadherin / Vimentin / ZEB1 Vimentin p-AKT / AKT / p-ERK / ERK		29157079
	Growth inhibition assay	Cell viability		29157079

In Vivo
In Vivo	VE-821(ATR inhibitor IV) is a potent and selective ATP competitive inhibitor of ATR.
動物実験	動物モデル	Male immunodefcient mice
	投与量	15 mg/kg
	投与経路	i.p.

参考
[1] Reaper PM, et al. Nat Chem Biol, 2011, 7(7), 428-430. [2] Charrier JD, et al. J Med Chem, 2011, 54(7), 2320-2330. [3] Han L, et al. J Exp Clin Cancer Res. 2022 Jan 8;41(1):17.

参考

化学情報

分子量	368.41	化学式	C₁₈H₁₆N₄O₃S
CAS No.	1232410-49-9	SDF	Download VE-821 SDFをダウンロードする
Smiles	CS(=O)(=O)C1=CC=C(C=C1)C2=CN=C(C(=N2)C(=O)NC3=CC=CC=C3)N
保管	3年-20°C粉	溶液の保管冷凍と解凍の繰り返しを避けるため小分けにしてください	1年-80°Cin solvent
保管	3年-20°C粉	溶液の保管冷凍と解凍の繰り返しを避けるため小分けにしてください	1个月-20°Cin solvent

In vitro
Batch:

DMSO : 74 mg/mL ( (200.86 mM)；吸湿したDMSOは溶解度を減少させます。新しいDMSOをご使用ください。)

Water : Insoluble

Ethanol : Insoluble

モル濃度計算器

in vivo
Batch:

Add solvents to the product individually and in order.

投与溶液組成計算機

実験計算

モル濃度計算器

質量	濃度	体積	分子量
=	×	×

希釈計算器分子量計算器

投与溶液組成計算機(クリア溶液)

ステップ１：実験データを入力してください。（実験操作によるロスを考慮し、動物数を1匹分多くして計算・調製することを推奨します）

投与量 mg/kg 動物平均体重 g 投与体積（動物毎）μL 動物数匹

ステップ２：投与溶媒の組成を入力してください。（ロット毎に適した溶解組成が異なる場合があります。詳細については弊社までお問い合わせください）

% DMSO + % + % Tween 80 + % ddH₂O

%DMSO+ %

計算結果：

投与溶媒濃度： mg/ml;

DMSOストック溶液調製方法： mg 試薬を μL DMSOに溶解する（濃度 mg/mL, 注：濃度が当該ロットのDMSO溶解度を超える場合はご連絡ください。 )

投与溶媒調製方法：Take μL DMSOストック溶液に μL PEG300，を加え、完全溶解後μL Tween 80，を加えて完全溶解させた後 μL ddH₂O，を加え完全に溶解させます。

投与溶媒調製方法：μL DMSOストック溶液に μL Corn oil，を加え、完全溶解。

注意：１.ストック溶液に沈殿、混濁などがないことをご確認ください；
２.順番通りに溶剤を加えてください。次のステップに進む前に溶液に沈殿、混濁などがないことを確認してから加えてください。ボルテックス、ソニケーション、水浴加熱など物理的な方法で溶解を早めることは可能です。

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):