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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相关化合物库	代谢化合物库抗癌代谢化合物库谷氨酰胺代谢化合物库糖代谢化合物库脂代谢化合物库	点击展开

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

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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