Vorasidenib (AG-881)

目录号：S8611 Purity: 99.99%

Vorasidenib (AG-881)是一种具有口服活性的抑制剂，靶向突变型IDH1和IDH2。

Vorasidenib (AG-881) Chemical Structure

CAS: 1644545-52-7

规格	价格	库存
10mM (1mL in DMSO)	3251.43	现货
2mg	1286.44	现货
5mg	2924.8	现货
25mg	8763.8	现货
100mg	17772.63	现货
1g	33497.46	现货
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产品质控

批次：纯度： 99.99%

99.99

Vorasidenib (AG-881)相关产品

相关靶点	ALDH1A	点击展开
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细胞实验数据示例

细胞系	实验类型	孵育时间	活性描述	文献信息
TS603	Function assay	48 hrs	Inhibition of DH1 R132H mutant in human TS603 cells assessed as reduction in 2-HG formation incubated for 48 hrs by LC-MS method, IC50<0.05μM	ChEMBL
U87MG	Function assay	48 hrs	Inhibition of IDH1 R132C mutant (unknown origin) expressed in human U87MG cells assessed as reduction in 2-HG formation incubated for 48 hrs by LC-MS method, IC50<0.05μM	ChEMBL
HT1080	Function assay	48 hrs	Inhibition of IDH1 R132H/R132C mutant in human HT1080 cells assessed as reduction in 2-HG formation incubated for 48 hrs by LC-MS method, IC50<0.05μM	ChEMBL
Sf9	Function assay	1 hr	Inhibition of IDH2 R140Q mutant homodimer (unknown origin) expressed in Sf9 cells pre-incubated for 1 hr before addition of alpha-KG followed by 16 hrs incubation in presence of NADPH, NADP, diaphorase and resazurin by fluorescence spectrometry based cofa, IC50<0.05μM	ChEMBL
Sf9	Function assay	1 hr	Inhibition of DH1 R132C mutant homodimer (unknown origin) expressed in Sf9 cells pre-incubated for 1 hr before addition of alpha-KG followed by 60 mins incubation in presence of NADPH, NADP, diaphorase and resazurin by fluorescence spectrometry, IC50<0.05μM	ChEMBL
Sf9	Function assay	1 hr	Inhibition of DH1 R132H mutant homodimer (unknown origin) expressed in Sf9 cells pre-incubated for 1 hr before addition of alpha-KG followed by 60 mins incubation in presence of NADPH, NADP, diaphorase and resazurin by fluorescence spectrometry, IC50<0.05μM	ChEMBL
Sf9	Function assay	1 hr	Inhibition of His-tagged wild type IDH1 (unknown origin)/FLAG-tagged IDH1 R132C mutant heterodimer expressed in Sf9 cells pre-incubated for 1 hr before addition of alpha-KG followed by diaphorase and resazurin addition and measured after 5 mins in presenc, IC50<0.05μM	ChEMBL
HT1080	Antiproliferative assay	72 hrs	Antiproliferative activity against human HT1080 cells after 72 hrs by celltiterglo reagent based assay, IC50<0.05μM	29847930
Sf9	Function assay	1 hr	Inhibition of His-tagged wild type IDH1 (unknown origin)/FLAG-tagged IDH1 R132H mutant heterodimer expressed in Sf9 cells pre-incubated for 1 hr before addition of alpha-KG followed by diaphorase and resazurin addition and measured after 5 mins in presenc, IC50<0.05μM	ChEMBL
TS603	Antiproliferative assay	72 hrs	Antiproliferative activity against human TS603 cells harboring IDH2 R140Q mutant after 72 hrs by celltiterglo reagent based assay, IC50<0.05μM	29847930
U87MG	Antiproliferative assay	72 hrs	Antiproliferative activity against human U87MG cells expressing pLVX-IDH2 R140Q mutant after 72 hrs by celltiterglo reagent based assay, IC50<0.05μM	29847930
点击查看更多细胞系数据

生物活性

产品描述

Vorasidenib (AG-881)是一种具有口服活性的抑制剂，靶向突变型IDH1和IDH2。

靶点

IDH1 ^[1]

IDH2 ^[1]

体外研究(In Vitro)
体外研究活性	泛IDH1/2抑制剂（AG881）选择性地抑制突变型IDH蛋白，并在体内外模型中诱导细胞分化^[1]。 AG-881抑制α-KG转变成癌代谢物2HG，抑制2HG介导的信号、并引起细胞分化、表达突变型IDH的肿瘤细胞增殖受到抑制^[2]。

体内研究(In Vivo)
体内研究活性	AG-881可完全穿过血脑屏障。目前AG-881处于临床早期I期试验，检测其对治疗具有IDH突变的恶性血液病、实体肿瘤、胶质瘤的效果^[3]。

NCT Number	Recruitment	Conditions	Sponsor/Collaborators	Start Date	Phases
临床试验信息 (data from https://clinicaltrials.gov, updated on 2024-05-22)
NCT05609994	Not yet recruiting	Low Grade Glioma of Brain	Katy Peters MD PhD\|Servier\|Duke University	June 2024	Phase 1
NCT05674474	Completed	Hepatic Impairment	Institut de Recherches Internationales Servier\|Servier	March 14 2023	Phase 1
NCT05484622	Recruiting	Astrocytoma	Institut de Recherches Internationales Servier\|Merck Sharp & Dohme LLC\|Servier	January 20 2023	Phase 1
NCT04145128	Completed	Healthy Volunteers	Agios Pharmaceuticals Inc.	October 2 2019	Phase 1

参考文献
[1] Fujii, et al. Discov Med. 2016, 21(117):373-80. [2] Upadhyay VA, et al. Pharmacol Ther. 2017, 177:123-128. [3] Dang L, et al. Ann Oncol. 2016, 27(4):599-608.

参考文献

化学信息&溶解度

分子量	414.74	分子式	C₁₄H₁₃ClF₆N₆
CAS号	1644545-52-7	SDF	Download Vorasidenib (AG-881) SDF
Smiles	CC(C(F)(F)F)NC1=NC(=NC(=N1)C2=NC(=CC=C2)Cl)NC(C)C(F)(F)F
储存条件(自收到货起)	3年-20°C粉状	储备液保存和期限建议分装储备液，避免反复冻融！	1年-80°C溶于溶剂
储存条件(自收到货起)	3年-20°C粉状	储备液保存和期限建议分装储备液，避免反复冻融！	1个月-20°C溶于溶剂

体外溶解度
批次：

DMSO : 82 mg/mL ( (197.71 mM) ；DMSO吸湿会降低化合物溶解度，请使用新开封DMSO)

Ethanol : 82 mg/mL (197.71 mM)

Water : Insoluble

DMSO : 83 mg/mL ( (200.12 mM) ；DMSO吸湿会降低化合物溶解度，请使用新开封DMSO)

Ethanol : 83 mg/mL (200.12 mM)

Water : Insoluble

摩尔浓度计算器

体内溶解度批次：现配现用，请按从左到右的顺序依次添加，澄清后再加入下一溶剂					动物体内配方计算器
体内溶解度批次：现配现用，请按从左到右的顺序依次添加，澄清后再加入下一溶剂	澄清溶液	5% DMSO 1 95% Corn oil	0.41mg/ml (0.99mM)	以1 mL工作液为例，取50μL 8.2mg/ml的澄清DMSO储备液加到950μL玉米油中，混合均匀。工作液请现配现用！	动物体内配方计算器
澄清溶液	5%DMSO 1 40%PEG300 2 5%Tween80 3 50%ddH2O	1.36mg/ml (3.28mM)	以 1 mL 工作液为例,取50μL27.2mg/ml的澄清DMSO储备液加到400μLPEG300中,混合均匀使其澄清;向上述体系中加入50μLTween80,混合均匀使其澄清;然后继续加入500μLddH2O定容至1mL。工作液请现配现用!
澄清溶液	5% DMSO 1 95% Corn oil	1.0mg/ml (2.41mM)	以1 mL工作液为例，取50μL 20mg/ml的澄清DMSO储备液加到950μL玉米油中，混合均匀。工作液请现配现用！
澄清溶液	5%DMSO 1 40%PEG300 2 5%Tween80 3 50%ddH2O	2.05mg/ml (4.94mM)	以 1 mL 工作液为例,取50μL41mg/ml的澄清DMSO储备液加到400μLPEG300中,混合均匀使其澄清;向上述体系中加入50μLTween80,混合均匀使其澄清;然后继续加入500μLddH2O定容至1mL。工作液请现配现用!

实验计算

摩尔浓度计算器

质量	浓度	体积	分子量
=	×	×

稀释计算器分子量计算器

动物体内配方计算器（澄清溶液）

第一步：请输入基本实验信息（考虑到实验过程中的损耗，建议多配一只动物的药量）

给药剂量 mg/kg 动物平均体重 g 每只动物给药体积 μL 动物数量只

第二步：请输入动物体内配方组成（配方适用于不溶于水的药物；不同批次药物配方比例不同，请联系Selleck为您提供正确的澄清溶液配方）

% DMSO + % + % Tween 80 + % ddH2O

%DMSO+ %

计算结果：

工作液浓度： mg/ml；

DMSO母液配制方法： mg 药物溶于μL DMSO溶液（母液浓度mg/mL，注：如该浓度超过该批次药物DMSO溶解度，请先联系Selleck）；

体内配方配制方法：取μL DMSO母液，加入μL PEG300，混匀澄清后加入μL Tween 80，混匀澄清后加入μL ddH₂O，混匀澄清。

体内配方配制方法：取μL DMSO母液，加入μL Corn oil，混匀澄清。

注意：1. 首先保证母液是澄清的；
2.一定要按照顺序依次将溶剂加入，进行下一步操作之前必须保证上一步操作得到的是澄清的溶液，可采用涡旋、超声或水浴加热等物理方法助溶。

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